C350H262N26 — CID 157159244
1-N,4-N-bis[4-(N-[4-[N-(9H-fluoren-2-yl)anilino]phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-phenanthren-9-ylanilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis[4-(N-[4-(N-quinolin-4-ylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 157159244) has the molecular formula C350H262N26 and a molecular weight of 4832.13 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(N-[4-[N-(9H-fluoren-2-yl)anilino]phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-phenanthren-9-ylanilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis[4-(N-[4-(N-quinolin-4-ylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine.
| Compound Name | 1-N,4-N-bis[4-(N-[4-[N-(9H-fluoren-2-yl)anilino]phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-phenanthren-9-ylanilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis[4-(N-[4-(N-quinolin-4-ylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine |
|---|---|
| PubChem CID | 157159244 |
| Molecular Formula | C350H262N26 |
| Molecular Weight | 4832.13 g/mol |
| Exact Mass | 4828.13 |
| IUPAC Name | 1-N,4-N-bis[4-(N-[4-[N-(9H-fluoren-2-yl)anilino]phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-phenanthren-9-ylanilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis[4-(N-[4-(N-quinolin-4-ylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine |
| SMILES | Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7cccc(C)c7)cc6)cc5)cc4)cc3)cc2)c1.c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)Cc4ccccc4-5)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccnc6ccccc56)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccnc5ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C94H68N6.C92H68N6.C84H62N8.C80H64N6/c1-7-29-71(30-8-1)95(79-51-55-81(56-52-79)97(73-33-11-3-12-34-73)83-59-63-85(64-60-83)99(75-37-15-5-16-38-75)93-67-69-27-19-21-41-87(69)89-43-23-25-45-91(89)93)77-47-49-78(50-48-77)96(72-31-9-2-10-32-72)80-53-57-82(58-54-80)98(74-35-13-4-14-36-74)84-61-65-86(66-62-84)100(76-39-17-6-18-40-76)94-68-70-28-20-22-42-88(70)90-44-24-26-46-92(90)94;1-7-25-71(26-8-1)93(79-43-47-81(48-44-79)95(73-29-11-3-12-30-73)83-51-55-85(56-52-83)97(75-33-15-5-16-34-75)87-59-61-91-69(65-87)63-67-23-19-21-37-89(67)91)77-39-41-78(42-40-77)94(72-27-9-2-10-28-72)80-45-49-82(50-46-80)96(74-31-13-4-14-32-74)84-53-57-86(58-54-84)98(76-35-17-6-18-36-76)88-60-62-92-70(66-88)64-68-24-20-22-38-90(68)92;1-7-23-63(24-8-1)87(71-43-47-73(48-44-71)89(65-27-11-3-12-28-65)75-51-55-77(56-52-75)91(67-31-15-5-16-32-67)83-59-61-85-81-37-21-19-35-79(81)83)69-39-41-70(42-40-69)88(64-25-9-2-10-26-64)72-45-49-74(50-46-72)90(66-29-13-4-14-30-66)76-53-57-78(58-54-76)92(68-33-17-6-18-34-68)84-60-62-86-82-38-22-20-36-80(82)84;1-61-23-21-37-79(59-61)85(67-33-17-7-18-34-67)77-55-51-75(52-56-77)83(65-29-13-5-14-30-65)73-47-43-71(44-48-73)81(63-25-9-3-10-26-63)69-39-41-70(42-40-69)82(64-27-11-4-12-28-64)72-45-49-74(50-46-72)84(66-31-15-6-16-32-66)76-53-57-78(58-54-76)86(68-35-19-8-20-36-68)80-38-22-24-62(2)60-80/h1-68H;1-62,65-66H,63-64H2;1-62H;3-60H,1-2H3 |
| InChIKey | AMEGPLRKAGOVFL-UHFFFAOYSA-N |
| XLogP | 99.49 |
| TPSA | 103.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 376 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4832.13 |
| LogP ≤ 5 | 99.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |