C160H101N21 — CID 163989283
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 163989283) has the molecular formula C160H101N21 and a molecular weight of 2317.71 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 163989283 |
| Molecular Formula | C160H101N21 |
| Molecular Weight | 2317.71 g/mol |
| Exact Mass | 2315.85 |
| IUPAC Name | 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C56H35N7.2C52H33N7/c1-4-18-36(19-5-1)51-57-52(37-20-6-2-7-21-37)61-56(60-51)47-35-40(32-33-50(47)63-48-30-16-14-28-44(48)45-29-15-17-31-49(45)63)54-58-53(38-22-8-3-9-23-38)59-55(62-54)46-34-39-24-10-11-25-41(39)42-26-12-13-27-43(42)46;1-4-18-35(19-5-1)47-53-48(36-20-6-2-7-21-36)57-52(56-47)43-33-38(31-32-46(43)59-44-29-14-12-26-40(44)41-27-13-15-30-45(41)59)50-54-49(37-22-8-3-9-23-37)55-51(58-50)42-28-16-24-34-17-10-11-25-39(34)42;1-4-17-35(18-5-1)47-54-50(39-29-28-34-16-10-11-23-38(34)32-39)56-51(55-47)40-30-31-46(59-44-26-14-12-24-41(44)42-25-13-15-27-45(42)59)43(33-40)52-57-48(36-19-6-2-7-20-36)53-49(58-52)37-21-8-3-9-22-37/h1-35H;2*1-33H |
| InChIKey | TZEAODOSWPRWHP-UHFFFAOYSA-N |
| XLogP | 38.08 |
| TPSA | 246.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2317.71 |
| LogP ≤ 5 | 38.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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