C155H93N23O2 — CID 165032215
4-(3,5-diphenylphenyl)-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-phenyl-4-(5-phenyl-2-pyridinyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole;6-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole (PubChem CID 165032215) has the molecular formula C155H93N23O2 and a molecular weight of 2309.61 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-phenyl-4-(5-phenyl-2-pyridinyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole;6-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole.
| Compound Name | 4-(3,5-diphenylphenyl)-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-phenyl-4-(5-phenyl-2-pyridinyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole;6-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole |
|---|---|
| PubChem CID | 165032215 |
| Molecular Formula | C155H93N23O2 |
| Molecular Weight | 2309.61 g/mol |
| Exact Mass | 2307.79 |
| IUPAC Name | 4-(3,5-diphenylphenyl)-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-phenyl-4-(5-phenyl-2-pyridinyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole;6-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)nc2)cc1.c1ccc(-c2nc(-c3ccc4ncoc4c3)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1.c1ccc(-c2nc(-c3nc4ccccc4o3)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1 |
| InChI | InChI=1S/C46H29N5.C39H24N6.2C35H20N6O/c1-4-13-30(14-5-1)34-27-35(31-15-6-2-7-16-31)29-36(28-34)42-39-24-22-32-23-25-41(48-43(32)44(39)50-45(49-42)33-17-8-3-9-18-33)51-40-21-11-10-19-37(40)38-20-12-26-47-46(38)51;1-3-10-25(11-4-1)28-18-21-32(41-24-28)36-31-20-17-26-19-22-34(42-35(26)37(31)44-38(43-36)27-12-5-2-6-13-27)45-33-16-8-7-14-29(33)30-15-9-23-40-39(30)45;1-2-9-22(10-3-1)33-39-31-25(32(40-33)35-37-26-13-5-7-15-28(26)42-35)18-16-21-17-19-29(38-30(21)31)41-27-14-6-4-11-23(27)24-12-8-20-36-34(24)41;1-2-7-22(8-3-1)34-39-31(23-13-16-27-29(19-23)42-20-37-27)26-15-12-21-14-17-30(38-32(21)33(26)40-34)41-28-11-5-4-9-24(28)25-10-6-18-36-35(25)41/h1-29H;1-24H;2*1-20H |
| InChIKey | MVIZRQOJAVBHPB-UHFFFAOYSA-N |
| XLogP | 36.69 |
| TPSA | 290.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2309.61 |
| LogP ≤ 5 | 36.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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