C181H117N9 — CID 160981046
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 160981046) has the molecular formula C181H117N9 and a molecular weight of 2417.99 g/mol. Its IUPAC name is 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole.
| Compound Name | 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole |
|---|---|
| PubChem CID | 160981046 |
| Molecular Formula | C181H117N9 |
| Molecular Weight | 2417.99 g/mol |
| Exact Mass | 2415.94 |
| IUPAC Name | 2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)c2)cc1 |
| InChI | InChI=1S/C65H41N3.C63H41N3.C53H35N3/c1-3-15-43(16-4-1)60-37-47(38-61(66-60)44-17-5-2-6-18-44)42-27-31-48(32-28-42)67-62-25-13-11-23-55(62)57-34-29-45(39-64(57)67)46-30-35-58-56-24-12-14-26-63(56)68(65(58)40-46)49-33-36-54-52-21-8-7-19-50(52)51-20-9-10-22-53(51)59(54)41-49;1-3-15-45(16-4-1)58-38-49(39-59(64-58)46-17-5-2-6-18-46)42-26-32-50(33-27-42)65-60-24-11-9-21-54(60)56-36-30-47(40-62(56)65)48-31-37-57-55-22-10-12-25-61(55)66(63(57)41-48)51-34-28-44(29-35-51)53-23-13-19-43-14-7-8-20-52(43)53;1-4-15-36(16-5-1)41-32-48(37-17-6-2-7-18-37)54-49(33-41)40-19-14-22-43(31-40)56-51-26-13-11-24-45(51)47-30-28-39(35-53(47)56)38-27-29-46-44-23-10-12-25-50(44)55(52(46)34-38)42-20-8-3-9-21-42/h1-41H;1-41H;1-35H |
| InChIKey | SZNDAWUIXFKORI-UHFFFAOYSA-N |
| XLogP | 48.11 |
| TPSA | 68.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 190 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2417.99 |
| LogP ≤ 5 | 48.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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