C97H74N8O7 — CID 157223555
benzo[f]quinolin-5-ol;benzo[g]quinolin-10-ol;10-methylbenzo[h]quinoline;2-methylquinolin-8-ol;5-methylquinolin-8-ol;phenanthridin-4-ol;5-phenylquinolin-8-ol;quinolin-8-ol (PubChem CID 157223555) has the molecular formula C97H74N8O7 and a molecular weight of 1463.71 g/mol. Its IUPAC name is benzo[f]quinolin-5-ol;benzo[g]quinolin-10-ol;10-methylbenzo[h]quinoline;2-methylquinolin-8-ol;5-methylquinolin-8-ol;phenanthridin-4-ol;5-phenylquinolin-8-ol;quinolin-8-ol.
| Compound Name | benzo[f]quinolin-5-ol;benzo[g]quinolin-10-ol;10-methylbenzo[h]quinoline;2-methylquinolin-8-ol;5-methylquinolin-8-ol;phenanthridin-4-ol;5-phenylquinolin-8-ol;quinolin-8-ol |
|---|---|
| PubChem CID | 157223555 |
| Molecular Formula | C97H74N8O7 |
| Molecular Weight | 1463.71 g/mol |
| Exact Mass | 1462.57 |
| IUPAC Name | benzo[f]quinolin-5-ol;benzo[g]quinolin-10-ol;10-methylbenzo[h]quinoline;2-methylquinolin-8-ol;5-methylquinolin-8-ol;phenanthridin-4-ol;5-phenylquinolin-8-ol;quinolin-8-ol |
| SMILES | Cc1ccc(O)c2ncccc12.Cc1ccc2cccc(O)c2n1.Cc1cccc2ccc3cccnc3c12.Oc1c2ccccc2cc2cccnc12.Oc1cc2ccccc2c2cccnc12.Oc1ccc(-c2ccccc2)c2cccnc12.Oc1cccc2c1ncc1ccccc12.Oc1cccc2cccnc12 |
| InChI | InChI=1S/C15H11NO.C14H11N.3C13H9NO.2C10H9NO.C9H7NO/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;1-10-4-2-5-11-7-8-12-6-3-9-15-14(12)13(10)11;15-13-11-6-2-1-4-9(11)8-10-5-3-7-14-12(10)13;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;1-7-4-5-9(12)10-8(7)3-2-6-11-10;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-10,17H;2-9H,1H3;3*1-8,15H;2*2-6,12H,1H3;1-6,11H |
| InChIKey | ATGUXTNDQZZGBO-UHFFFAOYSA-N |
| XLogP | 23.02 |
| TPSA | 244.73 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 112 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1463.71 |
| LogP ≤ 5 | 23.02 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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