C224H148N18 — CID 160652820
3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3,4,5-triphenyl-1,2-dihydroimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole (PubChem CID 160652820) has the molecular formula C224H148N18 and a molecular weight of 3091.77 g/mol. Its IUPAC name is 3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3,4,5-triphenyl-1,2-dihydroimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole.
| Compound Name | 3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3,4,5-triphenyl-1,2-dihydroimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 160652820 |
| Molecular Formula | C224H148N18 |
| Molecular Weight | 3091.77 g/mol |
| Exact Mass | 3089.21 |
| IUPAC Name | 3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3,4,5-triphenyl-1,2-dihydroimidazol-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)n(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4c3)n2)cc1.c1ccc(C2=C(c3ccccc3)N(c3ccccc3)C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)N2)cc1 |
| InChI | InChI=1S/C57H38N4.C57H40N4.2C55H35N5/c1-5-17-39(18-6-1)55-56(40-19-7-2-8-20-40)61(57(58-55)41-21-9-3-10-22-41)46-33-31-45(32-34-46)60-52-28-16-14-26-48(52)50-38-43(30-36-54(50)60)42-29-35-53-49(37-42)47-25-13-15-27-51(47)59(53)44-23-11-4-12-24-44;1-5-17-39(18-6-1)55-56(40-19-7-2-8-20-40)61(45-23-11-4-12-24-45)57(58-55)41-29-33-46(34-30-41)60-52-28-16-14-26-48(52)50-38-43(32-36-54(50)60)42-31-35-53-49(37-42)47-25-13-15-27-51(47)59(53)44-21-9-3-10-22-44;1-4-14-37(15-5-1)53-56-54(38-16-6-2-7-17-38)58-55(57-53)41-25-24-36-26-29-44(33-42(36)32-41)60-50-23-13-11-21-46(50)48-35-40(28-31-52(48)60)39-27-30-51-47(34-39)45-20-10-12-22-49(45)59(51)43-18-8-3-9-19-43;1-4-14-36(15-5-1)53-56-54(37-16-6-2-7-17-37)58-55(57-53)42-25-24-39-33-44(29-26-38(39)32-42)60-50-23-13-11-21-46(50)48-35-41(28-31-52(48)60)40-27-30-51-47(34-40)45-20-10-12-22-49(45)59(51)43-18-8-3-9-19-43/h1-38H;1-38,57-58H;2*1-35H |
| InChIKey | RKQLOOSNHZRBPJ-UHFFFAOYSA-N |
| XLogP | 56.69 |
| TPSA | 149.87 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 242 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3091.77 |
| LogP ≤ 5 | 56.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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