C172H114N6 — CID 160531037
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole (PubChem CID 160531037) has the molecular formula C172H114N6 and a molecular weight of 2264.85 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole.
| Compound Name | 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole |
|---|---|
| PubChem CID | 160531037 |
| Molecular Formula | C172H114N6 |
| Molecular Weight | 2264.85 g/mol |
| Exact Mass | 2262.91 |
| IUPAC Name | 2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylnaphthalen-1-yl)carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc(-c9ccccc9)c9ccccc89)c7c6)ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc43)cc2)cc1 |
| InChI | InChI=1S/C64H42N2.2C54H36N2/c1-4-16-43(17-5-1)49-38-50(44-18-6-2-7-19-44)40-51(39-49)45-28-32-52(33-29-45)65-60-26-14-13-25-57(60)59-41-47(31-36-63(59)65)48-30-34-58-56-24-12-15-27-61(56)66(64(58)42-48)62-37-35-53(46-20-8-3-9-21-46)54-22-10-11-23-55(54)62;1-4-14-37(15-5-1)42-32-43(38-16-6-2-7-17-38)34-44(33-42)39-24-28-46(29-25-39)55-52-23-13-11-21-48(52)50-35-40(27-31-53(50)55)41-26-30-49-47-20-10-12-22-51(47)56(54(49)36-41)45-18-8-3-9-19-45;1-4-14-37(15-5-1)40-24-28-45(29-25-40)55-51-22-12-10-20-47(51)49-30-26-42(36-54(49)55)41-27-31-53-50(35-41)48-21-11-13-23-52(48)56(53)46-33-43(38-16-6-2-7-17-38)32-44(34-46)39-18-8-3-9-19-39/h1-42H;2*1-36H |
| InChIKey | QVNOTTDEYFTXAM-UHFFFAOYSA-N |
| XLogP | 46.47 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2264.85 |
| LogP ≤ 5 | 46.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |