C306H224N12 — CID 159958006
2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline;4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline;N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;3-methyl-5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 159958006) has the molecular formula C306H224N12 and a molecular weight of 4069.24 g/mol. Its IUPAC name is 2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline;4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline;N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;3-methyl-5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
| Compound Name | 2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline;4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline;N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;3-methyl-5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 159958006 |
| Molecular Formula | C306H224N12 |
| Molecular Weight | 4069.24 g/mol |
| Exact Mass | 4065.79 |
| IUPAC Name | 2-[6-[4,5-dimethyl-2-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-4,5-dimethyl-N,N-diphenylaniline;4-[6-[2,5-dimethyl-4-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-2,5-dimethyl-N,N-diphenylaniline;N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;3-methyl-5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N,N-diphenylaniline |
| SMILES | Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)c(C)cc4N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c(N(c2ccccc2)c2ccccc2)cc1C.Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(N(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(N(c2ccccc2)c2ccccc2)c1.Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2c(c1)c1cc(-c3cc(C)c(N(c4ccccc4)c4ccccc4)cc3C)ccc1n2-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c5cc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)ccc54)cc3)c3ccccc23)cc1 |
| InChI | InChI=1S/2C78H59N3.C76H55N3.C74H51N3/c1-52-48-75(79(60-26-12-6-13-27-60)61-28-14-7-15-29-61)54(3)46-69(52)58-40-44-73-71(50-58)72-51-59(70-47-55(4)76(49-53(70)2)80(62-30-16-8-17-31-62)63-32-18-9-19-33-63)41-45-74(72)81(73)64-42-38-57(39-43-64)78-67-36-22-20-34-65(67)77(56-24-10-5-11-25-56)66-35-21-23-37-68(66)78;1-52-46-69(75(48-54(52)3)79(60-26-12-6-13-27-60)61-28-14-7-15-29-61)58-40-44-73-71(50-58)72-51-59(70-47-53(2)55(4)49-76(70)80(62-30-16-8-17-31-62)63-32-18-9-19-33-63)41-45-74(72)81(73)64-42-38-57(39-43-64)78-67-36-22-20-34-65(67)77(56-24-10-5-11-25-56)66-35-21-23-37-68(66)78;1-52-44-58(48-65(46-52)77(60-24-10-4-11-25-60)61-26-12-5-13-27-61)56-38-42-73-71(50-56)72-51-57(59-45-53(2)47-66(49-59)78(62-28-14-6-15-29-62)63-30-16-7-17-31-63)39-43-74(72)79(73)64-40-36-55(37-41-64)76-69-34-20-18-32-67(69)75(54-22-8-3-9-23-54)68-33-19-21-35-70(68)76;1-6-22-52(23-7-1)73-65-36-16-18-38-67(65)74(68-39-19-17-37-66(68)73)53-40-44-62(45-41-53)77-71-46-42-56(54-24-20-34-63(48-54)75(58-26-8-2-9-27-58)59-28-10-3-11-29-59)50-69(71)70-51-57(43-47-72(70)77)55-25-21-35-64(49-55)76(60-30-12-4-13-31-60)61-32-14-5-15-33-61/h2*5-51H,1-4H3;3-51H,1-2H3;1-51H |
| InChIKey | OCYQBHNJIAMZLV-UHFFFAOYSA-N |
| XLogP | 85.88 |
| TPSA | 45.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 318 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4069.24 |
| LogP ≤ 5 | 85.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |