C234H179N7S — CID 160700162
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine (PubChem CID 160700162) has the molecular formula C234H179N7S and a molecular weight of 3121.12 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine.
| Compound Name | N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine |
|---|---|
| PubChem CID | 160700162 |
| Molecular Formula | C234H179N7S |
| Molecular Weight | 3121.12 g/mol |
| Exact Mass | 3118.39 |
| IUPAC Name | N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3cccc4c3-c3ccccc3C4(C)C)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)c3cccc4c3-c3ccccc3C4(C)C)cc21 |
| InChI | InChI=1S/3C60H46N2.C54H41NS/c1-59(2)50-30-14-9-26-48(50)57-51(59)31-19-35-56(57)62(53-32-15-10-22-41(53)39-36-37-43-42-23-8-13-29-49(42)60(3,4)52(43)38-39)55-34-17-12-25-45(55)47-28-18-27-46-44-24-11-16-33-54(44)61(58(46)47)40-20-6-5-7-21-40;1-59(2)50-27-14-9-25-47(50)58-51(59)28-18-32-57(58)62(54-30-16-11-22-43(54)40-33-35-45-44-23-8-13-26-49(44)60(3,4)52(45)38-40)53-29-15-10-21-42(53)39-34-36-56-48(37-39)46-24-12-17-31-55(46)61(56)41-19-6-5-7-20-41;1-59(2)51-30-13-9-26-49(51)57-52(59)31-18-34-56(57)61(54-32-14-10-23-43(54)40-35-36-46-45-24-8-12-29-50(45)60(3,4)53(46)38-40)42-22-16-19-39(37-42)44-27-17-28-48-47-25-11-15-33-55(47)62(58(44)48)41-20-6-5-7-21-41;1-53(2)45-19-10-6-17-43(45)52-46(53)20-13-22-49(52)55(37-28-24-34(25-29-37)35-26-31-42-41-16-8-12-23-50(41)56-51(42)33-35)48-21-11-7-14-38(48)36-27-30-40-39-15-5-9-18-44(39)54(3,4)47(40)32-36/h3*5-38H,1-4H3;5-33H,1-4H3 |
| InChIKey | RQMZJGOZCBVTFN-UHFFFAOYSA-N |
| XLogP | 64.07 |
| TPSA | 27.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 242 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.12 |
| LogP ≤ 5 | 64.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |