Organic molecules for use in organic optoelectronic devices

1. An organic molecule, comprising:

a first chemical unit comprising a structure according to Formula I:

and

two second chemical units, which are respectively the same or different in each occurrence, comprising a structure according to Formula II:

wherein, in each case, the first chemical unit is connected to the two second chemical units via a single bond;

wherein

T is the point of attachment of the single bond between the first chemical unit and a second chemical unit or is H;

V is the point of attachment of the single bond between the first chemical unit and a second chemical unit or is H;

W is the point of attachment of the single bond between the first chemical unit and a second chemical unit or is selected from the group consisting of H, CN and CF 3 ;

X is the point of attachment of the single bond between the first chemical unit and a second chemical unit or is selected from the group consisting of H, CN and CF 3 ;

Y is the point of attachment of the single bond between the first chemical unit and a second chemical unit or is selected from the group consisting of H, CN and CF 3 ;

# identifies the point of attachment of the single bond between a second chemical unit and the first chemical unit;

in each occurrence Z is the same or different, and is a direct bond or is selected from the group consisting of CR 3 R 4 , C═CR 3 R 4 , C═O, C═NR 3 , NR 3 , O, SiR 3 R 4 , S, S(O) and S(O) 2 ;

in each occurrence R 1 and R 2 are the same or different and are selected from the group consisting of deuterium, H, a linear alkyl group having 1 to 5 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, a linear alkenyl or alkynyl group having 2 to 8 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, a branched or cyclic alkyl, alkenyl or alkynyl group having 3 to 10 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, and an aromatic or heteroaromatic ring system having 5 to 15 aromatic ring atoms, which can in each case be substituted with one or more radicals R 6 ;

in each occurrence, R a , R 3 and R 4 are the same or different and are selected from the group consisting of H, deuterium, N(R 5 ) 2 , OH, Si(R 5 ) 3 , B(OR 5 ) 2 , OSO 2 R 5 , CF 3 , CN, F, Br, I, a linear alkyl, alkoxy or thioalkoxy group having 1 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or a linear alkenyl or alkynyl group having 2 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 ; or a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or a diarylamino, diheteroarylamino or arylheteroarylamino group having 10 to 40 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 ;

in each occurrence, R 5 is the same or different and is selected from the group consisting of H, deuterium, N(R 6 ) 2 , OH, Si(R 6 ) 3 , B(OR 6 ) 2 , OSO 2 R 6 , CF 3 , CN, F, Br, I, a linear alkyl, alkoxy or thioalkoxy group having 1 to 40 C atoms, which can in each case be substituted with one or more radicals R 6 , wherein one or more non-adjacent CH 2 groups can be replaced by R 6 C═CR 6 , C≡C, Si(R 6 ) 2 , Ge(R 6 ) 2 , Sn(R 6 ) 2 , C═O, C═S, C═Se, C═NR 6 , P(═O)(R 6 ), SO, SO 2 , NR 6 , O, S or CONR 6 , or a linear alkenyl or alkynyl group having 2 to 40 C atoms, which can in each case be substituted with one or more radicals R 6 , wherein one or more non-adjacent CH 2 groups can be replaced by R 6 C═CR 6 , C≡C, Si(R 6 ) 2 , Ge(R 6 ) 2 , Sn(R 6 ) 2 , C═O, C═S, C═Se, C═NR 6 , P(═O)(R 6 ), SO, SO 2 , NR 6 , O, S or CONR 6 , or a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 40 C atoms, which can in each case be substituted with one or more radicals R 6 , wherein one or more non-adjacent CH 2 groups can be replaced by R 6 C═CR 6 , C≡C, Si(R 6 ) 2 , Ge(R 6 ) 2 , Sn(R 6 ) 2 , C═O, C═S, C═Se, C═NR 6 , P(═O)(R 6 ), SO, SO 2 , NR 6 , O, S or CONR 6 , or an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 6 , or an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 6 , or a diarylamino, diheteroarylamino or arylheteroarylamino group having 10 to 40 aromatic ring atoms, which can in each case be substituted with one or more radicals R 6 ;

in each occurrence, R 6 is the same or different and is selected from the group consisting of H, deuterium, OH, CF 3 , CN, F, a linear a linear alkyl, alkoxy or thioalkoxy group having 1 to 5 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 , or a linear a linear alkenyl or alkynyl group having 2 to 5 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 , or a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 5 C atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 , or an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 , or an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 , or a diarylamino, diheteroarylamino or arylheteroarylamino group having 10 to 40 aromatic ring atoms, wherein in each case one or more H atoms can be replaced by deuterium, CN or CF 3 ;

wherein each of the radicals R a , R 3 , R 4 or R 5 can also form a mono- or polycyclic, aliphatic, aromatic and/or benzoannelated ring system with one or more further radicals R a , R 3 , R 4 or R 5 ;

wherein

exactly one radical selected from the group consisting of W, X and Y is CN or CF 3 and exactly two radicals selected from the group consisting of T, V, W, X and Y are a point of attachment of the single bond between the first chemical unit and a second chemical unit.

2. The organic molecule according to claim 1 , wherein, in each occurrence, R 1 is the same or different and is methyl or phenyl.

3. The organic molecule according to claim 1 , wherein R 2 is H, methyl or phenyl.

4. The organic molecule according to claim 1 , wherein W is CN.

5. The organic molecule according to claim 1 , wherein, in each occurrence, the second chemical unit is the same or different and has a structure of Formula IIa:

wherein # and R a have the aforestated meanings.

6. The organic molecule according to claim 1 , wherein, in each case, the second chemical unit has a structure of Formula IIb:

wherein

in each occurrence, R b is the same or different and is N(R 5 ) 2 , OH, Si(R 5 ) 3 , B(OR 5 ) 2 , OSO 2 R 5 , CF 3 , CN, F, Br, I, a linear alkyl, alkoxy or thioalkoxy group having 1 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or a linear alkenyl or alkynyl group having 2 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or a diarylamino, diheteroarylamino or arylheteroarylamino group having 10 to 40 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 ; and

# and R 5 have the aforestated meanings.

7. The organic molecule according to claim 1 , wherein, in each case, the second chemical unit has a structure of Formula IIc or consists thereof:

wherein

in each occurrence, R b is independently selected from the group consisting of N(R 5 ) 2 , OH, Si(R 5 ) 3 , B(OR 5 ) 2 , OSO 2 R 5 , CF 3 , CN, F, Br, I, a linear alkyl, alkoxy or thioalkoxy group having 1 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or a linear alkenyl or alkynyl group having 2 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 40 C atoms, which can in each case be substituted with one or more radicals R 5 , wherein one or more non-adjacent CH 2 groups can be replaced by R 5 C═CR 5 , C≡C, Si(R 5 ) 2 , Ge(R 5 ) 2 , Sn(R 5 ) 2 , C═O, C═S, C═Se, C═NR 5 , P(═O)(R 5 ), SO, SO 2 , NR 5 , O, S or CONR 5 , or an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 , or a diarylamino, diheteroarylamino or arylheteroarylamino group having 10 to 40 aromatic ring atoms, which can in each case be substituted with one or more radicals R 5 ; and

# and R 5 have the aforestated meanings.

8. The organic molecule according to claim 6 , wherein R b is independently selected from the group consisting of

Me, i Pr, t Bu, CN, CF 3 ,

Ph, which can in each case be substituted with one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 or Ph,

pyridinyl, which can in each case be substituted with one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 or Ph,

pyrimidinyl, which can in each case be substituted with one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 or Ph,

triazinyl, which can in each case be substituted with one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 or Ph,

carbazolyl, which can in each case be substituted with one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 or Ph, and

N(Ph) 2 .

9. A composition comprising:

(a) at least one organic molecule according to claim 1 as an emitter and/or a host;

(b) one or more emitter and/or host materials different from the at least one organic molecule according to claim 1 ; and

(c) optionally one or more dyes and/or one or more solvents.

10. A method for producing an optoelectronic device, comprising processing of the composition according to claim 9 by a vacuum evaporation method or from a solution.

11. An optoelectronic device comprising the composition according to claim 9 .

12. The optoelectronic device according to claim 11 , comprising:

a substrate;

an anode;

a cathode, wherein the anode or the cathode are disposed on the substrate, and

at least one light-emitting layer disposed between the anode and the cathode and which comprises the composition.

13. The optoelectronic device according to claim 11 , wherein the composition is one of an emitter and an absorber in the optoelectronic device.

14. The optoelectronic device according to claim 11 , wherein the optoelectronic device is an organic light-emitting diode, a light-emitting electrochemical cell, an organic light-emitting sensor, an organic diode, an organic solar cell, an organic transistor, an organic field-effect transistor, an organic laser or a down-conversion element.

15. An optoelectronic device comprising the organic molecule according to claim 1 .

16. A method for producing an optoelectronic device, comprising processing of the organic molecule according to claim 1 by a vacuum evaporation method or from a solution.

17. The optoelectronic device according to claim 15 , wherein the optoelectronic device is an organic light-emitting diode, a light-emitting electrochemical cell, an organic light-emitting sensor, an organic diode, an organic solar cell, an organic transistor, an organic field-effect transistor, an organic laser or a down-conversion element.

18. The optoelectronic device according to claim 15 , wherein the organic molecule is one of an emitter and an absorber in the optoelectronic device.

19. The optoelectronic device according to claim 15 , comprising:

a substrate;

an anode; and

a cathode, wherein the anode or the cathode is applied to the substrate, and

at least one light-emitting layer disposed between the anode and the cathode and which comprises the organic molecule.

20. The optoelectronic device according to claim 18 , wherein a proportion of the organic molecule in the emitter or the absorber is in the range of 1% to 80%.