Organic molecules for use in optoelectronic devices

1. An organic molecule, comprising a structure of Formula III:

wherein R 1 and R 2 are the same or different at each instance and are selected from the group consisting of:

H, deuterium;

a linear alkyl group having 1 to 5 carbon atoms, a linear alkenyl or alkynyl group having 2 to 8 carbon atoms, a branched or cyclic alkyl, alkenyl or alkynyl group having 3 to 10 carbon atoms, where one or more hydrogen atoms may be replaced by deuterium; and

an aromatic or heteroaromatic ring system which has 5 to 15 aromatic ring atoms and may be substituted in each case by one or more R 6 radicals;

R 5 is the same or different at each instance and is 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 which has 1 to 40 carbon atoms and may be substituted in each case by one or more R 5 radicals, where one or more nonadjacent CH 2 groups may 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 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

a linear alkenyl or alkynyl group which has 2 to 40 carbon atoms and may be substituted in each case by one or more R 5 radicals, where one or more nonadjacent

CH 2 groups may 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 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group which has 3 to 40 carbon atoms and may be substituted in each case by one or more R 5 radicals,

where one or more nonadjacent CH 2 groups may 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 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

an aromatic or heteroaromatic ring system which has 5 to 60 aromatic ring atoms and may be substituted in each case by one or more R 5 radicals;

an aryloxy or heteroaryloxy group which has 5 to 60 aromatic ring atoms and may be substituted in each case by one or more R 5 radicals; and

a diarylamino group, diheteroarylamino group or arylheteroarylamino group which has 10 to 40 aromatic ring atoms and may be substituted in each case by one or more R 5 radicals;

R 5 is the same or different at each instance 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 which has 1 to 40 carbon atoms and may be substituted in each case by one or more R 6 radicals, where one or more nonadjacent CH 2 groups may 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 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

a linear alkenyl or alkynyl group which has 2 to 40 carbon atoms and may be substituted in each case by one or more R 6 radicals, where one or more nonadjacent CH 2 groups may 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 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group which has 3 to 40 carbon atoms and may be substituted in each case by one or more R 6 radicals, where one or more nonadjacent CH 2 groups may be replaced by R 6 C═CR 6 , C≡C, Si(R 6 ) 2 , Ge(R 6 ) 2 , Sn(R 6 ) 2 , C═0, C═S, C═Se, C═NR 6 , P(═O)(R 6 ), SO, SO 2 , NR 6 , O, S or CONR 6 and where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

an aromatic or heteroaromatic ring system which has 5 to 60 aromatic ring atoms and may be substituted in each case by one or more R 6 radicals;

an aryloxy or heteroaryloxy group which has 5 to 60 aromatic ring atoms and may be substituted in each case by one or more R 6 radicals; and

a diarylamino group, diheteroarylamino group or arylheteroarylamino group which has 10 to 40 aromatic ring atoms and may be substituted in each case by one or more R 6 radicals; and

R 6 is the same or different at each instance and is selected from the group consisting of:

H, deuterium, OH, CF3, CN, F;

a linear alkyl, alkoxy or thioalkoxy group having 1 to 5 carbon atoms, where one or

more hydrogen atoms may be replaced by deuterium, CN, CF3 or NO 2 ;

a linear alkenyl or alkynyl group having 2 to 5 carbon atoms, where one or more hydrogen atoms may be replaced by deuterium, CN, CF 3 or NO 2 ;

a branched or cyclic alkyl, alkenyl, alkynyl, alkoxy or thioalkoxy group having 3 to 5 carbon atoms, where one or more hydrogen atoms may be replaced by deuterium,

CN, CF3 or NO 2 ;

an aromatic or heteroaromatic ring system having 5 to 60 aromatic ring atoms;

an aryloxy or heteroaryloxy group having 5 to 60 aromatic ring atoms; and

a diarylamino group, diheteroarylamino group or arylheteroarylamino group having 10 to 40 aromatic ring atoms;

where each of the R a , R 3 , R 4 or R 5 radicals together with one or more further R a , R 3 , R 4 or R 5 radicals may form a mono- or polycyclic, aliphatic, aromatic and/or benzofused ring system.

2. The organic molecule according to claim 1 , where R 1 and R 2 are the same or different at each instance and are H, methyl or phenyl.

3. The organic molecule according to claim 1 , comprising a structure of Formula IIIa:

where R c independently at each instance is selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , Ph which may be substituted in each case by one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 and Ph, pyridinyl which may be substituted in each case by one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 and Ph, pyrimidinyl which may be substituted in each case by one or more radicals selected from i Pr, t Bu, CN, CF 3 and Ph, carbazolyl which may be substituted in each case by one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 and Ph, triazinyl which may be substituted in each case by one or more radicals selected from Me, i Pr, t Bu, CN, CF 3 and Ph, and N(Ph) 2 .

4. The organic molecule according to claim 1 , comprising a structure of Formula IIIb:

5. The organic molecule according to claim 1 , comprising a structure of Formula IIIc:

6. The organic molecule according to claim 1 , comprising a structure of Formula IIId:

7. The organic molecule according to claim 1 , comprising a structure of Formula IIIe:

8. The organic molecule according to claim 1 , comprising a structure of Formula IIIf:

9. The organic molecule according to claim 1 , comprising a structure of Formula IIIg:

10. The organic molecule according to claim 1 , comprising a structure of Formula IIIh:

11. A composition, comprising:

(a) at least one organic molecule according to claim 1 , in the form of an emitter and/or a host;

(b) one or more emitter and/or host materials other than the organic molecule according to claim 1 ; and

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

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

13. The optoelectronic device according to claim 12 , comprising

a substrate;

an anode;

a cathode, where the anode or the cathode has been applied to the substrate, and

at least one light-emitting layer which is arranged between the anode and the cathode and comprises the composition according to claim 11 .

14. An optoelectronic device comprising an organic molecule according to claim 1 .

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

16. The optoelectronic device according to claim 14 , wherein the organic molecule is one of a luminescent emitter, host material, electron transport material, hole injection material and hole blocker material in the optoelectronic device.

17. The optoelectronic device according to claim 14 , comprising:

a substrate;

an anode;

a cathode, where the anode or the cathode has been applied to the substrate; and

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

18. The optoelectronic device according to claim 17 , wherein the optoelectronic device is an organic light-emitting diode (OLEDs), a light-emitting electrochemical cell, an OLED sensor, an organic diode, an organic solar cell, an organic transistor, an organic field-effect transistor, an organic laser and a down-conversion element.

19. A process for producing an optoelectronic component, comprising processing the organic molecule according to claim 1 by vacuum evaporation or from a solution.

20. A process for producing an optoelectronic component, comprising processing the composition according to claim 11 by vacuum evaporation or from a solution.