| CPC C07F 5/027 (2013.01) [H10K 85/322 (2023.02); H10K 85/324 (2023.02); H10K 85/326 (2023.02); H10K 85/40 (2023.02); H10K 85/623 (2023.02); H10K 85/654 (2023.02); H10K 85/656 (2023.02); H10K 85/6572 (2023.02); H10K 85/6574 (2023.02); H10K 85/6576 (2023.02); H10K 50/15 (2023.02); H10K 50/16 (2023.02); H10K 50/171 (2023.02); H10K 50/18 (2023.02); H10K 2101/30 (2023.02)] | 21 Claims |
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1. A compound having the structure of Formula I:
 wherein:
A is a monocyclic or multicyclic ring system comprising one or more fused or unfused 5-membered or 6-membered carbocyclic or heterocyclic rings which can be further substituted;
each R independently has a structure of Formula II:
 R is fused to two consecutive carbon atoms in A through the dashed lines;
Z1 and Z2 are each independently selected from the group consisting of O, S, Se, and NAr5;
Ar1, Ar2, Ar3, Ar4, and Ar5 are each independently a 5-membered or 6-membered carbocyclic or heterocyclic ring which can be further substituted;
index n is 0, 1, or 2 with the proviso that when 1) Z1 is NAr5, and 2) Ar1, Ar2 and Ar5 are all 6-membered carbocyclic rings, then n is 1 or 2; or when Z1 is O, then n is 1 or 2; or
if Z1 and/or Z2 is O, then Ar1-Ar4 are each 6-membered carbocyclic rings that may be substituted with a substituent selected from the group consisting of deuterium, alkyl, cycloalkyl, aryl, nitrile, and combinations thereof,
if Z1 is NAr5, and Ar1, Ar2 and Ar5 are all 6-membered carbocyclic rings in which index n is 1 and Z2 is NAr5, then A is a monocyclic ring system or A is a multicyclic fused ring system; and
any two adjacent Ar3 and Ar4 can be joined or fused to form a ring.
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10. An organic light emitting device (OLED) comprising:
an anode;
a cathode; and
an organic layer disposed between the anode and the cathode,
wherein the organic layer comprises a compound selected from the group consisting of Formula I and Formula III;
wherein Formula I has the structure:
 A is a monocyclic or multicyclic ring system comprising one or more fused or unfused 5-membered or 6-membered carbocyclic or heterocyclic rings which can be further substituted;
each R independently has a structure of Formula II:
 R is fused to two consecutive carbon atoms in A through the dashed lines;
Z1 and Z2 are each independently selected from the group consisting of O, S, Se, and NAr5;
Ar1, Ar2, Ar3, Ar4, and Ar5 are each independently a 5-membered or 6-membered carbocyclic or heterocyclic ring which can be further substituted;
index n is 0, 1, or 2 with the proviso that when 1) Z1 is NAr5, and 2) Ar1, Ar2 and Ar5 are all 6-membered carbocyclic rings, then p is 1 or 2; or when Z1 is O, then n is 1 or 2; or
if Z1 and/or Z2 is O, then Ar1-Ar4 are each 6-membered carbocyclic rings that may be substituted with a substituent selected from the group consisting of deuterium, alkyl, cycloalkyl, aryl, nitrile, and combinations thereof,
if Z1 is NAr5, and Ar1, Ar2 and Ar5 are all 6-membered carbocyclic rings in which index n is 1 and Z2 is NAr5, then A is a monocyclic ring system or A is a multicyclic fused ring system; and
any two adjacent A, Ar3, and Ar4 can be joined or fused to form a ring;
wherein Formula III has the structure:
 each X may be the same or different and is C or N;
D is a monocyclic or multicyclic ring system comprising one or more fused or unfused 5-membered or 6-membered carbocyclic or heterocyclic rings which can be further substituted;
R′ comprise a structure of Formula IV:
 each X′ may be the same or different and is C or N;
R′ is joined to a carbon atom in D through the dashed line;
Z3 is selected from the group consisting of O, S, Se, and NAr8;
Z4 is selected from the group consisting of O, S, and Se;
RA and RB each independently represent zero, mono to the maximum allowable substitution;
each RA and RB is independently a hydrogen or a substituent selected from the group consisting of deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, boryl, arylalkyl, alkoxy, aryloxy, amino, silyl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof;
Ar6, Ar7, and Ar8 are each independently a 5-membered or 6-membered carbocyclic or heterocyclic ring which can be further substituted; and
index m is 1 or 2.
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16. A compound selected from the group consisting of:
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where R1 to R65 have the following structures:
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