C174H116N6 — CID 159370962
9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole (PubChem CID 159370962) has the molecular formula C174H116N6 and a molecular weight of 2290.88 g/mol. Its IUPAC name is 9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole.
| Compound Name | 9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 159370962 |
| Molecular Formula | C174H116N6 |
| Molecular Weight | 2290.88 g/mol |
| Exact Mass | 2288.93 |
| IUPAC Name | 9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3-c3cccc(-c4ccccc4)c3)c2)cc1 |
| InChI | InChI=1S/2C60H40N2.C54H36N2/c1-4-17-41(18-5-1)44-23-16-24-45(33-44)49-37-50(48-35-46(42-19-6-2-7-20-42)34-47(36-48)43-21-8-3-9-22-43)39-52(38-49)62-59-30-15-12-27-55(59)56-40-51(31-32-60(56)62)61-57-28-13-10-25-53(57)54-26-11-14-29-58(54)61;1-4-16-41(17-5-1)44-28-30-45(31-29-44)49-37-50(48-35-46(42-18-6-2-7-19-42)34-47(36-48)43-20-8-3-9-21-43)39-52(38-49)62-59-27-15-12-24-55(59)56-40-51(32-33-60(56)62)61-57-25-13-10-22-53(57)54-23-11-14-26-58(54)61;1-3-15-37(16-4-1)39-19-13-21-41(33-39)45-31-29-43(35-49(45)42-22-14-20-40(34-42)38-17-5-2-6-18-38)56-53-28-12-9-25-48(53)50-36-44(30-32-54(50)56)55-51-26-10-7-23-46(51)47-24-8-11-27-52(47)55/h2*1-40H;1-36H |
| InChIKey | LJSUWYOTZHGGMQ-UHFFFAOYSA-N |
| XLogP | 46.98 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.88 |
| LogP ≤ 5 | 46.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |