C167H106N6 — CID 158139061
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 158139061) has the molecular formula C167H106N6 and a molecular weight of 2196.73 g/mol. Its IUPAC name is 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole.
| Compound Name | 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole |
|---|---|
| PubChem CID | 158139061 |
| Molecular Formula | C167H106N6 |
| Molecular Weight | 2196.73 g/mol |
| Exact Mass | 2194.85 |
| IUPAC Name | 9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole |
| SMILES | c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4c3c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c1 |
| InChI | InChI=1S/C66H42N2.C60H38N2.C41H26N2/c1-2-24-54-53(23-1)55-35-33-49(45-17-11-15-43(37-45)47-19-13-21-51(39-47)67-63-29-7-3-25-57(63)58-26-4-8-30-64(58)67)41-61(55)62-42-50(34-36-56(54)62)46-18-12-16-44(38-46)48-20-14-22-52(40-48)68-65-31-9-5-27-59(65)60-28-6-10-32-66(60)68;1-2-21-48-47(20-1)49-32-30-43(40-15-11-14-39(34-40)41-16-12-18-45(35-41)61-57-26-7-3-22-51(57)52-23-4-8-27-58(52)61)37-55(49)56-38-44(31-33-50(48)56)42-17-13-19-46(36-42)62-59-28-9-5-24-53(59)54-25-6-10-29-60(54)62;1-2-15-32-30(13-1)31-14-3-4-16-33(31)37-26-28(23-24-34(32)37)27-11-9-12-29(25-27)38-19-10-22-41(42-38)43-39-20-7-5-17-35(39)36-18-6-8-21-40(36)43/h1-42H;1-38H;1-26H |
| InChIKey | FTSGLEZCVVNVSJ-UHFFFAOYSA-N |
| XLogP | 45.32 |
| TPSA | 37.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 173 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2196.73 |
| LogP ≤ 5 | 45.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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