C198H132N12O6 — CID 157361968
2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[c][1,5]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[h][1,6]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,8-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,9-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-4,7-phenanthroline (PubChem CID 157361968) has the molecular formula C198H132N12O6 and a molecular weight of 2775.31 g/mol. Its IUPAC name is 2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[c][1,5]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[h][1,6]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,8-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,9-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-4,7-phenanthroline.
| Compound Name | 2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[c][1,5]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[h][1,6]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,8-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,9-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-4,7-phenanthroline |
|---|---|
| PubChem CID | 157361968 |
| Molecular Formula | C198H132N12O6 |
| Molecular Weight | 2775.31 g/mol |
| Exact Mass | 2773.04 |
| IUPAC Name | 2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[c][1,5]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]benzo[h][1,6]naphthyridine;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,8-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,9-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-1,10-phenanthroline;2-[10-(4-methoxyphenyl)anthracen-9-yl]-4,7-phenanthroline |
| SMILES | COc1ccc(-c2c3ccccc3c(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccncc5c4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ccc5cnccc5c4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4cnc5ccccc5c4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3ccc4ncc5ccccc5c4n3)c3ccccc23)cc1.COc1ccc(-c2c3ccccc3c(-c3cnc4ccc5ncccc5c4c3)c3ccccc23)cc1 |
| InChI | InChI=1S/6C33H22N2O/c1-36-24-17-14-21(15-18-24)30-25-8-2-4-10-27(25)31(28-11-5-3-9-26(28)30)29-19-16-23-13-12-22-7-6-20-34-32(22)33(23)35-29;1-36-23-17-14-21(15-18-23)31-24-8-2-4-10-26(24)32(27-11-5-3-9-25(27)31)30-19-16-22-20-34-29-13-7-6-12-28(29)33(22)35-30;1-36-23-14-12-21(13-15-23)32-25-7-2-4-9-27(25)33(28-10-5-3-8-26(28)32)22-19-29-24-11-6-18-34-30(24)16-17-31(29)35-20-22;1-36-24-15-12-21(13-16-24)31-26-6-2-4-8-28(26)32(29-9-5-3-7-27(29)31)30-17-14-22-10-11-23-20-34-19-18-25(23)33(22)35-30;1-36-24-15-12-22(13-16-24)31-25-6-2-4-8-27(25)32(28-9-5-3-7-26(28)31)30-17-14-23-11-10-21-18-19-34-20-29(21)33(23)35-30;1-36-23-16-14-21(15-17-23)31-25-10-4-6-12-27(25)32(28-13-7-5-11-26(28)31)29-18-19-30-33(35-29)24-9-3-2-8-22(24)20-34-30/h6*2-20H,1H3 |
| InChIKey | BISZGNSAKJVSDH-UHFFFAOYSA-N |
| XLogP | 50.59 |
| TPSA | 210.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2775.31 |
| LogP ≤ 5 | 50.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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