About 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502656) has the molecular formula C51H32N4O2
and a molecular weight of 732.84 g/mol. Its IUPAC name is 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
Molecular Properties
| Compound Name | 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| PubChem CID | 136502656 |
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| Molecular Formula | C51H32N4O2 |
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| Molecular Weight | 732.84 g/mol |
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| Exact Mass | 732.25 |
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| IUPAC Name | 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| SMILES | Oc1c(-c2c3ccccc3c(-c3ccc(O)c4ncccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2cccnc12 |
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| InChI | InChI=1S/C51H32N4O2/c56-45-27-26-38(40-15-9-29-53-49(40)45)46-36-13-4-5-14-37(36)47(41-25-22-32-10-8-28-52-48(32)50(41)57)42-30-34(23-24-39(42)46)31-18-20-33(21-19-31)51-54-43-16-6-7-17-44(43)55(51)35-11-2-1-3-12-35/h1-30,56-57H |
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| InChIKey | OYMYGCWVQOHBJI-UHFFFAOYSA-N |
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| XLogP | 12.51 |
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| TPSA | 84.06 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 732.84 |
| LogP ≤ 5 | 12.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502656) is 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1c(-c2c3ccccc3c(-c3ccc(O)c4ncccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2cccnc12.
What is the InChIKey of 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The InChIKey is OYMYGCWVQOHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c56-45-27-26-38(40-15-9-29-53-49(40)45)46-36-13-4-5-14-37(36)47(41-25-22-32-10-8-28-52-48(32)50(41)57)42-30-34(23-24-39(42)46)31-18-20-33(21-19-31)51-54-43-16-6-7-17-44(43)55(51)35-11-2-1-3-12-35/h1-30,56-57H.
What are the key properties of 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol has a molecular weight of 732.84 g/mol, XLogP of 12.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(8-hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).