C297H241N11 — CID 159267719
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-9-N-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N-[3-(3-phenylphenyl)phenyl]benzo[c]fluorene-5,9-diamine (PubChem CID 159267719) has the molecular formula C297H241N11 and a molecular weight of 3964.27 g/mol. Its IUPAC name is 5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-9-N-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N-[3-(3-phenylphenyl)phenyl]benzo[c]fluorene-5,9-diamine.
| Compound Name | 5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-9-N-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N-[3-(3-phenylphenyl)phenyl]benzo[c]fluorene-5,9-diamine |
|---|---|
| PubChem CID | 159267719 |
| Molecular Formula | C297H241N11 |
| Molecular Weight | 3964.27 g/mol |
| Exact Mass | 3960.92 |
| IUPAC Name | 5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-bis(4-methylphenyl)benzo[c]fluorene-5,9-diamine;5-N,9-N-bis(2,4-dimethylphenyl)-9-N-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N-[3-(3-phenylphenyl)phenyl]benzo[c]fluorene-5,9-diamine |
| SMILES | Cc1ccc(C2(c3ccc(C)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4)ccc3-c3c2cc(N(c2ccc(-c4ccccc4)cc2)c2cccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c2)c2ccccc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(N(c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)c4ccc(C)cc4C)ccc3-c3c2cc(N(c2cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c2)c2ccc(C)cc2C)c2ccccc32)cc1.Cc1ccc(N(c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c2ccc3c(c2)C(C)(C)c2cc(N(c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4ccc(C)cc4C)c4ccccc4c2-3)c(C)c1 |
| InChI | InChI=1S/C107H80N4.C107H96N4.C83H65N3/c1-69-37-47-83(48-38-69)107(84-49-39-70(2)40-50-84)97-67-89(108(99-53-41-71(3)59-73(99)5)85-31-21-33-87(65-85)110-101-55-43-79(75-23-11-7-12-24-75)61-93(101)94-62-80(44-56-102(94)110)76-25-13-8-14-26-76)51-52-92(97)106-91-36-20-19-35-90(91)105(68-98(106)107)109(100-54-42-72(4)60-74(100)6)86-32-22-34-88(66-86)111-103-57-45-81(77-27-15-9-16-28-77)63-95(103)96-64-82(46-58-104(96)111)78-29-17-10-18-30-78;1-69-35-43-75(44-36-69)107(76-45-37-70(2)38-46-76)95-67-87(108(81-51-39-73(40-52-81)71-25-17-15-18-26-71)83-29-23-31-85(65-83)110-97-57-47-77(103(3,4)5)61-91(97)92-62-78(104(6,7)8)48-58-98(92)110)55-56-90(95)102-89-34-22-21-33-88(89)101(68-96(102)107)109(82-53-41-74(42-54-82)72-27-19-16-20-28-72)84-30-24-32-86(66-84)111-99-59-49-79(105(9,10)11)63-93(99)94-64-80(106(12,13)14)50-60-100(94)111;1-54-35-41-77(56(3)45-54)84(67-31-20-32-68(51-67)86-79-43-37-64(59-23-12-8-13-24-59)49-73(79)74-50-65(38-44-80(74)86)60-25-14-9-15-26-60)69-39-40-72-75(52-69)83(5,6)76-53-81(70-33-16-17-34-71(70)82(72)76)85(78-42-36-55(2)46-57(78)4)66-30-19-29-63(48-66)62-28-18-27-61(47-62)58-21-10-7-11-22-58/h7-68H,1-6H3;15-68H,1-14H3;7-53H,1-6H3 |
| InChIKey | KXHVXPMZQOXMSY-UHFFFAOYSA-N |
| XLogP | 81.42 |
| TPSA | 44.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 308 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3964.27 |
| LogP ≤ 5 | 81.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |