C182H119N9 — CID 159950438
2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 159950438) has the molecular formula C182H119N9 and a molecular weight of 2432.02 g/mol. Its IUPAC name is 2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole.
| Compound Name | 2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole |
|---|---|
| PubChem CID | 159950438 |
| Molecular Formula | C182H119N9 |
| Molecular Weight | 2432.02 g/mol |
| Exact Mass | 2429.96 |
| IUPAC Name | 2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole |
| SMILES | Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)c3)c2)cc1 |
| InChI | InChI=1S/C65H41N3.C63H41N3.C54H37N3/c1-3-16-42(17-4-1)47-37-60(43-18-5-2-6-19-43)66-61(38-47)46-20-15-21-48(36-46)67-62-28-13-11-26-55(62)57-33-30-44(39-64(57)67)45-31-34-58-56-27-12-14-29-63(56)68(65(58)40-45)49-32-35-54-52-24-8-7-22-50(52)51-23-9-10-25-53(51)59(54)41-49;1-3-15-42(16-4-1)49-38-58(45-18-5-2-6-19-45)64-59(39-49)48-21-13-22-51(37-48)66-61-28-12-10-25-55(61)57-36-32-47(41-63(57)66)46-31-35-56-54-24-9-11-27-60(54)65(62(56)40-46)50-33-29-44(30-34-50)53-26-14-20-43-17-7-8-23-52(43)53;1-36-20-26-43(27-21-36)56-51-18-10-8-16-45(51)47-30-24-40(34-53(47)56)41-25-31-48-46-17-9-11-19-52(46)57(54(48)35-41)44-28-22-39(23-29-44)50-33-42(37-12-4-2-5-13-37)32-49(55-50)38-14-6-3-7-15-38/h1-41H;1-41H;2-35H,1H3 |
| InChIKey | OCAPOUWTCLTMJW-UHFFFAOYSA-N |
| XLogP | 48.42 |
| TPSA | 68.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 191 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2432.02 |
| LogP ≤ 5 | 48.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|