C329H242F2N18 — CID 159393254
1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine (PubChem CID 159393254) has the molecular formula C329H242F2N18 and a molecular weight of 4485.68 g/mol. Its IUPAC name is 1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine.
| Compound Name | 1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine |
|---|---|
| PubChem CID | 159393254 |
| Molecular Formula | C329H242F2N18 |
| Molecular Weight | 4485.68 g/mol |
| Exact Mass | 4481.95 |
| IUPAC Name | 1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine |
| SMILES | Cc1ccc(N(c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.Cc1ccc(N(c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc(C)cc3)c2)cc1.Fc1ccc(N(c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc(F)cc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1 |
| InChI | InChI=1S/C72H51N3.C60H43N3.C51H41N3.C50H39N3.C48H33F2N3.C48H35N3/c1-6-18-52(19-7-1)56-30-39-63(40-31-56)73(64-41-32-57(33-42-64)53-20-8-2-9-21-53)67-48-61(60-38-47-70-69-28-16-17-29-71(69)75(72(70)50-60)62-26-14-5-15-27-62)49-68(51-67)74(65-43-34-58(35-44-65)54-22-10-3-11-23-54)66-45-36-59(37-46-66)55-24-12-4-13-25-55;1-6-18-44(19-7-1)46-30-35-53(36-31-46)61(50-22-10-3-11-23-50)55-40-49(48-34-39-58-57-28-16-17-29-59(57)63(60(58)42-48)52-26-14-5-15-27-52)41-56(43-55)62(51-24-12-4-13-25-51)54-37-32-47(33-38-54)45-20-8-2-9-21-45;1-36-18-25-43(26-19-36)52(41-12-6-4-7-13-41)46-32-40(33-47(35-46)53(44-27-20-37(2)21-28-44)45-29-22-38(3)23-30-45)39-24-31-49-48-16-10-11-17-50(48)54(51(49)34-39)42-14-8-5-9-15-42;1-36-22-27-43(28-23-36)51(40-14-6-3-7-15-40)45-32-39(33-46(35-45)52(41-16-8-4-9-17-41)44-29-24-37(2)25-30-44)38-26-31-48-47-20-12-13-21-49(47)53(50(48)34-38)42-18-10-5-11-19-42;49-36-21-25-41(26-22-36)51(38-12-4-1-5-13-38)43-30-35(31-44(33-43)52(39-14-6-2-7-15-39)42-27-23-37(50)24-28-42)34-20-29-46-45-18-10-11-19-47(45)53(48(46)32-34)40-16-8-3-9-17-40;1-6-18-38(19-7-1)49(39-20-8-2-9-21-39)43-32-37(33-44(35-43)50(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-30-31-46-45-28-16-17-29-47(45)51(48(46)34-36)42-26-14-5-15-27-42/h1-51H;1-43H;4-35H,1-3H3;3-35H,1-2H3;1-33H;1-35H |
| InChIKey | LMJVDGVXCNOLAV-UHFFFAOYSA-N |
| XLogP | 92.16 |
| TPSA | 68.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 349 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4485.68 |
| LogP ≤ 5 | 92.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |