Organic molecules for optoelectronic devices

An organic molecule, comprising:

• a first chemical moiety comprising a structure of Formula I:
• and
• two second chemical moieties independently comprising a structure of Formula II:
• wherein,
• Rz is a binding site of a single bond linking the first chemical moiety to the second chemical moiety;
• R1 is at each occurrence independently from one another selected from the group consisting of:
• hydrogen;
• deuterium;
• OPh;
• SPh;
• CF3;
• CN;
• F;
• Si(C1-C5-alkyl)3;
• Si(Ph)3;
• C1-C5-alkyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium (D), CN, CF3, or F;
• C1-C5-alkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C1-C5-thioalkoxy,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkenyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C2-C5-alkynyl,
• wherein optionally one or more hydrogen atoms are independently from each other substituted by deuterium, CN, CF3, or F;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents, Ph, CN,
• CF3 or F;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents, Ph, CN,
• CF3 or F;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2;
• and
• N(C3-C17-heteroaryl) (C6-C18-aryl);
• the dashed lines “” represent binding sites of the first chemical moiety to the second chemical moiety;
• Z is selected from the group consisting of a direct bond, CR5R6, C═CR5R6, C═O, C═NR5, NR5, O, SiR5R6, S, S(O) and S(O)2;
• Ra is at each occurrence independently selected from the group consisting of:
• hydrogen;
• deuterium;
• N(R3)2;
• OR3;
• SR3;
• Si(R3)3;
• B(OR3)2;
• OSOR3;
• CF3;
• CN;
• halogen;
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R3 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R3C═CR3, C═C, Si(R3)2, Ge(R3)2, Sn(R3)2, C═O, C═S, C═Se, C═NR3, P(═O) (R3), SO, SO2, NR3, O, S or CONR3;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R3 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R3C═CR3, C═C, Si(R3)2, Ge(R3)2, Sn(R3)2, C═O, C═S, C═Se, C═NR3, P(═O) (R3), SO, SO2, NR3, O, S or CONR3;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R3 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R3C═CR3, C═C, Si(R3)2, Ge(R3)2, Sn(R3)2, C═O, C═S, C═Se, C═NR3, P(═O) (R3), SO, SO2, NR3, O, S or CONR3;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R3 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R3C═CR3, C═C, Si(R3)2, Ge(R3)2, Sn(R3)2, C═O, C═S, C═Se, C═NR3, P(═O) (R3), SO, SO2, NR3, O, S or CONR3;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R3 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R3C═CR3, C═C, Si(R3)2, Ge(R3)2, Sn(R3)2, C═O, C═S, C═Se, C═NR3, P(═O) (R3), SO, SO2, NR3, O, S or CONR3;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R3;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R3;
• R3, R5, R6 are at each occurrence independently selected from the group consisting of:
• hydrogen;
• deuterium;
• N(R4)2;
• OR4;
• SR4;
• Si(R4)3;
• B(OR4)2;
• OSOR4;
• CF3;
• CN;
• halogen;
• C1-C40-alkyl,
• which is optionally substituted with one or more substituents R4 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R4C═CR4, C═C, Si(R4)2, Ge(R4)2, Sn(R4)2, C═O, C═S, C═Se, C═NR4, P(═O) (R4), SO, SO2, NR4, O, S or CONR4;
• C1-C40-alkoxy,
• which is optionally substituted with one or more substituents R4 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R4C═CR4, C═C, Si(R4)2, Ge(R4)2, Sn(R4)2, C═O, C═S, C═Se, C═NR4, P(═O) (R4), SO, SO2, NR4, O, S or CONR4;
• C1-C40-thioalkoxy,
• which is optionally substituted with one or more substituents R4 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R4C═CR4, C═C, Si(R4)2, Ge(R4)2, Sn(R4)2, C═O, C═S, C═Se, C═NR4, P(═O) (R4), SO, SO2, NR4, O, S or CONR4;
• C2-C40-alkenyl,
• which is optionally substituted with one or more substituents R4 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R4C═CR4, C═C, Si(R4)2, Ge(R4)2, Sn(R4)2, C═O, C═S, C═Se, C═NR4, P(═O) (R4), SO, SO2, NR4, O, S or CONR4;
• C2-C40-alkynyl,
• which is optionally substituted with one or more substituents R4 and
• wherein one or more non-adjacent CH2-groups are optionally substituted by R4C═CR4, C═C, Si(R4)2, Ge(R4)2, Sn(R4)2, C═O, C═S, C═Se, C═NR4, P(═O) (R4), SO, SO2, NR4, O, S or CONR4;
• C6-C60-aryl,
• which is optionally substituted with one or more substituents R4;
• and
• C3-C57-heteroaryl,
• which is optionally substituted with one or more substituents R4;
• R4 is at each occurrence independently from one another selected from the group consisting of:
• hydrogen, deuterium, halogen, OPh, SPh, CF3, CN, Si(C1-C5-alkyl)3, Si(Ph)3;
• C1-C5-alkyl,
• wherein optionally one or more hydrogen atoms are independently substituted by deuterium, halogen, CN, or CF3;
• C1-C5-alkoxy,
• wherein optionally one or more hydrogen atoms are independently substituted by deuterium, halogen, CN, or CF3;
• C1-C5-thioalkoxy,
• wherein optionally one or more hydrogen atoms are independently substituted by deuterium, halogen, CN, or CF3;
• C2-C5-alkenyl,
• wherein optionally one or more hydrogen atoms are independently substituted by deuterium, halogen, CN, or CF3;
• C2-C5-alkynyl,
• wherein optionally one or more hydrogen atoms are independently substituted by deuterium, halogen, CN, or CF3;
• C6-C18-aryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• C3-C17-heteroaryl,
• which is optionally substituted with one or more C1-C5-alkyl substituents;
• N(C6-C18-aryl)2;
• N(C3-C17-heteroaryl)2;
• and
• N(C3-C17-heteroaryl) (C6-C18-aryl);
• wherein any of the groups Ra positioned adjacent to each other are optionally bonded to each other and form an aryl ring, a heteroaryl ring, an aryl ring or a heteroaryl ring, which is optionally substituted with one or more C6-C18-aryl substituents, C1-C5-alkyl substituents, deuterium, halogen, CN and/or CF3;
• and
• wherein a substituent R5 independently optionally forms a mono- or polycyclic, aliphatic, aromatic and/or benzo-fused ring system with one or more other substituents from the group consisting of R6 and Ra.