About 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502657) has the molecular formula C51H32N4O2
and a molecular weight of 732.84 g/mol. Its IUPAC name is 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
Molecular Properties
| Compound Name | 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| PubChem CID | 136502657 |
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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 | 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| SMILES | Oc1cccc2ccc(-c3c4ccccc4c(-c4ccc5cccnc5c4O)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)nc12 |
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| InChI | InChI=1S/C51H32N4O2/c56-45-18-8-10-32-25-28-43(53-48(32)45)47-38-15-5-4-14-37(38)46(40-27-23-33-11-9-29-52-49(33)50(40)57)41-30-35(24-26-39(41)47)31-19-21-34(22-20-31)51-54-42-16-6-7-17-44(42)55(51)36-12-2-1-3-13-36/h1-30,56-57H |
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| InChIKey | PXGAPOFNHNPHSQ-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 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502657) is 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1cccc2ccc(-c3c4ccccc4c(-c4ccc5cccnc5c4O)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)nc12.
What is the InChIKey of 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The InChIKey is PXGAPOFNHNPHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c56-45-18-8-10-32-25-28-43(53-48(32)45)47-38-15-5-4-14-37(38)46(40-27-23-33-11-9-29-52-49(33)50(40)57)41-30-35(24-26-39(41)47)31-19-21-34(22-20-31)51-54-42-16-6-7-17-44(42)55(51)36-12-2-1-3-13-36/h1-30,56-57H.
What are the key properties of 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
2-[10-(8-hydroxyquinolin-7-yl)-3-[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 2-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).