ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES

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

wherein

R I , R II , R III and R IV are independently from another selected from the group consisting of:

hydrogen,

deuterium,

N(R 5 ) 2 ,

OR 5 ,

SR 5 ,

Si(R 5 ) 3 ,

B(OR 5 ) 2 ,

OSO 2 R 5 ,

CF 3 ,

CN,

halogen,

C 1 -C 40 -alkyl,

which is optionally substituted with one or more substituents R 5 and

wherein one or more non-adjacent CH 2 -groups are optionally substituted 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 ;

C 1 -C 40 -alkoxy,

which is optionally substituted with one or more substituents R 5 and

wherein one or more non-adjacent CH 2 -groups are optionally substituted 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 ;

C 1 -C 40 -thioalkoxy,

which is optionally substituted with one or more substituents R 5 and

wherein one or more non-adjacent CH 2 -groups are optionally substituted 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 ;

C 2 -C 40 -alkenyl,

which is optionally substituted with one or more substituents R 5 and

wherein one or more non-adjacent CH 2 -groups are optionally substituted 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 ;

C 2 -C 40 -alkynyl,

which is optionally substituted with one or more substituents R 5 and

wherein one or more non-adjacent CH 2 -groups are optionally substituted 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 ;

C 6 -C 60 -aryl,

which is optionally substituted with one or more substituents R 5 ; and

C 3 -C 57 -heteroaryl,

which is optionally substituted with one or more substituents R 5 ;

R 5 is at each occurrence independently from another selected from the group consisting of:

hydrogen, deuterium, OPh, SPh, CF 3 , CN, F, Si(C 1 -C 5 -alkyl) 3 , Si(Ph) 3 ,

C 1 -C 5 -alkyl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF 3 , or F;

C 1 -C 5 -alkoxy,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF 3 , or F;

C 1 -C 5 -thioalkoxy,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF 3 , or F;

C 2 -C 5 -alkenyl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF 3 , or F;

C 2 -C 5 -alkynyl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF 3 , or F;

C 6 -C 18 -aryl,

which is optionally substituted with one or more C 1 -C 5 -alkyl substituents;

C 3 -C 17 -heteroaryl,

which is optionally substituted with one or more C 1 -C 5 -alkyl substituents;

N(C 6 -C 18 -aryl) 2 ,

N(C 3 -C 17 -heteroaryl) 2 ; and

N(C 3 -C 17 -heteroaryl)(C 6 -C 18 -aryl);

R V is at each occurrence independently from another selected from the group consisting of:

a C 3 -C 15 -heteroaryl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, halogen, C 1 -C 5 -alkyl, CN, CF 3 , SiMe 3 , SiPh 3 ,

C 3 -C 15 -heteroaryl, and

C 6 -C 18 -aryl, wherein optionally one or more hydrogen atoms are independently from each other substituted by C 1 -C 5 -alkyl, CN, CF 3 and Ph;

R VI , R VII and R VIII are at each occurrence independently from another selected from the group consisting of: hydrogen, deuterium,

C 1 -C 5 -alkyl,

wherein one or more hydrogen atoms are optionally substituted by deuterium;

C 6 -C 18 -aryl,

wherein optionally one or more hydrogen atoms are independently from each other

substituted by C 1 -C 5 -alkyl, C 6 -Cis aryl or C 3 -C 17 -heteroaryl;

C 3 -C 15 -heteroaryl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by C 1 -C 5 -alkyl, C 6 -Cis aryl or C 3 -C 17 -heteroaryl.

2 . The organic molecule according to claim 1 , wherein R V comprises a structure of Formula I-0:

wherein

m is 0 or 1;

n is 0 or 1;

is 0 or 1;

if n=0, then o=0;

G a is C if m=1; G a is CR a or N if m=0;

J a is C if m=1; J a is CR a or N if m=0;

Q b is C if n=1; Q b is CR 1 or N if n=0;

Q c is C if n=1; Q c is CR 2 or N if n=0;

G 2 is C if o=1; G 2 is CR b or N if o=0;

if o=1 exactly one J 2 is C and the other J 2 is N or CR b ;

if o=0 J 2 is at each occurrence independently from another selected from the group consisting of N and CR b ;

Z is Q or a direct single bond;

Q is at each occurrence independently from each other selected from the group consisting

of N and C—R 2 ;

if Z is a direct bond:

Q a is selected from a group consisting of NR c , O;

Q b and Q c are connected via a double bond and Q c and Q a are connected via a single bond;

if Z is Q:

Q a is selected from a group consisting N, O, C—R a ;

Z and Q b are connected via a double bond, while Q b and Q c are connected via a single bond and Q c and Q a are connected via a double bond;

R a is at each occurrence independently from another selected from the group consisting of the binding site or R 2

R 1 and R 2 are at each occurrence independently from another selected from the group consisting of:

hydrogen, deuterium, halogen, C 1 -C 5 -alkyl, CN, CF 3 , SiMe 3 , SiPh 3 (Ph=phenyl), C 3 -C 15 -heteroaryl, and

C 6 -C 18 -aryl, wherein optionally one or more hydrogen atoms are independently from each other substituted by C 1 -C 5 -alkyl, CN, CF 3 and Ph;

R b is at each occurrence independently from another selected from the group consisting of the binding site, hydrogen, deuterium, C 1 -C 5 -alkyl, C 6 -Cis aryl or C 3 -C 17 -heteroaryl;

R c is at each occurrence independently from another selected from the group consisting of hydrogen, deuterium, C 1 -C 5 -alkyl, C 6 -Cis aryl or C 3 -C 17 -heteroaryl;

exactly one of R a and R b is the binding site of R V to the structure shown in formula I; and

at least one atom of Formula I-0 is N or O.

3 . The organic molecule according to claim 1 , wherein

R I , R II , R III and R IV are independently from another selected from the group consisting of:

hydrogen, deuterium, halogen, Me, i Pr, t Bu, CN, CF 3 , SiMe 3 , SiPh 3 ,

Ph, which is optionally substituted with one or more substituents independently from each other selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , and Ph,

pyridinyl, which is optionally substituted with one or more substituents independently from each other selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , and Ph,

pyrimidinyl, which is optionally substituted with one or more substituents independently from each other selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , and Ph,

carbazolyl, which is optionally substituted with one or more substituents independently from each other selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , and Ph,

triazinyl, which is optionally substituted with one or more substituents independently from each other selected from the group consisting of Me, i Pr, t Bu, CN, CF 3 , and Ph,

and N(Ph) 2 .

4 . The organic molecule according to claim 1 , wherein the organic molecule comprises a structure of Formula Ia:

5 . The organic molecule according to claim 1 , wherein R II is equal to R III .

6 . The organic molecule according to claim 1 , wherein R V is selected from the group consisting of Formulas 2a, 2b, 2c, 2d, 2e, 2f, 2g, 2h, 2i, 2j, 2k and 2l:

wherein

Q is at each occurrence independently from each other selected from the group consisting of N and C—R 2 .

R 1 and R 2 are at each occurrence independently from another selected from the group consisting of:

hydrogen, deuterium, halogen, Me, i Pr, t Bu, CN, CF 3 , SiMe 3 , SiPh 3 (Ph=phenyl), and C 6 -C 18 -aryl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by C 1 -C 5 -alkyl, CN, CF 3 and Ph

wherein

Q is at each occurrence independently from each other selected from the group consisting of N and C—R 2 ;

R 1 and R 2 are at each occurrence independently from another selected from the group consisting of:

hydrogen, deuterium, halogen, Me, i Pr, t Bu, CN, CF 3 , SiMe 3 , SiPh 3 (Ph=phenyl), and C 6 -C 18 -aryl,

wherein optionally one or more hydrogen atoms are independently from each other substituted by C 1 -C 5 -alkyl, CN, CF 3 and Ph

Q* is at each occurrence independently from each other selected from the group consisting of N and C—H, wherein optionally one or more hydrogen atoms are independently from each other substituted by R c ;

wherein

Q* is at each occurrence independently from each other selected from the group consisting of N and C—H, wherein optionally one or more hydrogen atoms are independently from each other substituted by R c , wherein at least one Q*=N;

and

wherein optionally one or more hydrogen atoms are independently from each other substituted by R c ;

which is bonded via the position marked by a dotted line: “ ”.

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

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

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

10 . (canceled)

11 . (canceled)

12 . A composition, comprising:

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

(b) an emitter and/or a host material different from the organic molecule according to claim 1 ; and

(c) optionally, a dye and/or a solvent.

13 . (canceled)

14 . (canceled)

15 . (canceled)

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

17 . The optoelectronic device according to claim 16 , 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 16 , comprising:

a substrate;

an anode;

a cathode, wherein the anode or the cathode is disposed on the substrate; and

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

19 . An optoelectronic device comprising the organic molecule according to claim 1 , wherein the organic molecule is one of a luminescent emitter, an electron transport material, a hole injection material or a hole blocking material in the optoelectronic device.

20 . An optoelectronic device comprising the organic molecule according to claim 2 , 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.

21 . The optoelectronic device according to claim 20 , comprising:

a substrate;

an anode;

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.

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

23 . The optoelectronic device according to claim 22 , 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.

24 . The optoelectronic device according to claim 22 , comprising:

a substrate;

an anode;

a cathode, wherein the anode or the cathode is disposed on the substrate; and

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

25 . 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.