C153H87N27 — CID 162099550
5-[3-[4,6-di(quinolin-3-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (PubChem CID 162099550) has the molecular formula C153H87N27 and a molecular weight of 2303.57 g/mol. Its IUPAC name is 5-[3-[4,6-di(quinolin-3-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline.
| Compound Name | 5-[3-[4,6-di(quinolin-3-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline |
|---|---|
| PubChem CID | 162099550 |
| Molecular Formula | C153H87N27 |
| Molecular Weight | 2303.57 g/mol |
| Exact Mass | 2301.76 |
| IUPAC Name | 5-[3-[4,6-di(quinolin-3-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline;5-[3-[4,6-di(quinolin-7-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline |
| SMILES | c1ccc2ncc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4cnc5ccccc5c4)n3)cc2c1.c1cnc2cc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4ccc5cccnc5c4)n3)ccc2c1.c1cnc2ccc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4ccc5ncccc5c4)n3)cc2c1 |
| InChI | InChI=1S/3C51H29N9/c1-7-30-23-34(13-15-41(30)52-17-1)49-58-50(35-14-16-42-31(24-35)8-2-18-53-42)60-51(59-49)38-26-36(45-39-11-5-19-54-43(39)28-32-9-3-21-56-47(32)45)25-37(27-38)46-40-12-6-20-55-44(40)29-33-10-4-22-57-48(33)46;1-7-30-13-15-34(28-41(30)52-17-1)49-58-50(35-16-14-31-8-2-18-53-42(31)29-35)60-51(59-49)38-24-36(45-39-11-5-19-54-43(39)26-32-9-3-21-56-47(32)45)23-37(25-38)46-40-12-6-20-55-44(40)27-33-10-4-22-57-48(33)46;1-3-15-41-30(9-1)21-37(28-56-41)50-58-49(59-51(60-50)38-22-31-10-2-4-16-42(31)57-29-38)36-24-34(45-39-13-7-17-52-43(39)26-32-11-5-19-54-47(32)45)23-35(25-36)46-40-14-8-18-53-44(40)27-33-12-6-20-55-48(33)46/h3*1-29H |
| InChIKey | ZERSGHGQEMDTAL-UHFFFAOYSA-N |
| XLogP | 34.49 |
| TPSA | 348.03 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2303.57 |
| LogP ≤ 5 | 34.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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