C163H126F3N7 — CID 159397128
N-(4-carbazol-9-ylphenyl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;9-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine (PubChem CID 159397128) has the molecular formula C163H126F3N7 and a molecular weight of 2239.84 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;9-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;9-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine |
|---|---|
| PubChem CID | 159397128 |
| Molecular Formula | C163H126F3N7 |
| Molecular Weight | 2239.84 g/mol |
| Exact Mass | 2238.00 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine;9-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine |
| SMILES | CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc12.CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc12.CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc12 |
| InChI | InChI=1S/C56H42FN3.C54H41FN2.C53H43FN2/c1-55(2)47-17-9-5-16-44(47)53-54(55)45-31-29-40(34-48(45)56(53,3)4)58(36-25-27-38(28-26-36)59-49-18-10-6-13-41(49)42-14-7-11-19-50(42)59)39-30-32-52-46(33-39)43-15-8-12-20-51(43)60(52)37-23-21-35(57)22-24-37;1-53(2)47-18-9-7-16-44(47)51-52(53)45-30-28-40(33-48(45)54(51,3)4)56(37-24-20-35(21-25-37)42-17-11-13-34-12-5-6-14-41(34)42)39-29-31-50-46(32-39)43-15-8-10-19-49(43)57(50)38-26-22-36(55)23-27-38;1-51(2)43-16-10-7-13-37(43)38-26-23-35(30-45(38)51)55(34-25-28-48-42(29-34)39-14-9-12-18-47(39)56(48)33-21-19-32(54)20-22-33)36-24-27-41-46(31-36)53(5,6)49-40-15-8-11-17-44(40)52(3,4)50(41)49/h5-34H,1-4H3;5-33H,1-4H3;7-31H,1-6H3 |
| InChIKey | LMWHBZJOHBLYMQ-UHFFFAOYSA-N |
| XLogP | 43.88 |
| TPSA | 29.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 173 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2239.84 |
| LogP ≤ 5 | 43.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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