C174H133N5S — CID 162216523
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (PubChem CID 162216523) has the molecular formula C174H133N5S and a molecular weight of 2326.08 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.
| Compound Name | N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine |
|---|---|
| PubChem CID | 162216523 |
| Molecular Formula | C174H133N5S |
| Molecular Weight | 2326.08 g/mol |
| Exact Mass | 2324.03 |
| IUPAC Name | N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21 |
| InChI | InChI=1S/2C60H46N2.C54H41NS/c1-59(2)51-27-13-9-23-49(51)57-52(59)28-17-31-56(57)61(42-35-32-39(33-36-42)40-34-37-44-43-20-8-12-26-50(43)60(3,4)53(44)38-40)54-29-14-10-21-45(54)47-24-16-25-48-46-22-11-15-30-55(46)62(58(47)48)41-18-6-5-7-19-41;1-59(2)51-24-13-9-22-48(51)58-52(59)25-16-28-57(58)62(43-33-29-39(30-34-43)40-31-35-46-45-20-8-12-23-50(45)60(3,4)53(46)38-40)54-26-14-10-19-44(54)41-32-36-56-49(37-41)47-21-11-15-27-55(47)61(56)42-17-6-5-7-18-42;1-53(2)46-16-9-6-14-44(46)52-47(53)17-11-18-49(52)55(39-28-22-35(23-29-39)37-25-31-43-42-13-7-10-19-50(42)56-51(43)33-37)38-26-20-34(21-27-38)36-24-30-41-40-12-5-8-15-45(40)54(3,4)48(41)32-36/h2*5-38H,1-4H3;5-33H,1-4H3 |
| InChIKey | ZTNRHPKPKHXFMT-UHFFFAOYSA-N |
| XLogP | 47.87 |
| TPSA | 19.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.08 |
| LogP ≤ 5 | 47.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |