About 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502636) has the molecular formula C51H32N4O2
and a molecular weight of 732.84 g/mol. Its IUPAC name is 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
Molecular Properties
| Compound Name | 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| PubChem CID | 136502636 |
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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 | 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol |
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| SMILES | Oc1ccc(-c2c3ccccc3c(-c3ccc(O)c4ncccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2cccnc12 |
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| InChI | InChI=1S/C51H32N4O2/c56-45-26-24-37(40-14-8-28-52-49(40)45)47-35-12-4-5-13-36(35)48(38-25-27-46(57)50-41(38)15-9-29-53-50)42-30-33(22-23-39(42)47)31-18-20-32(21-19-31)51-54-43-16-6-7-17-44(43)55(51)34-10-2-1-3-11-34/h1-30,56-57H |
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| InChIKey | OFEVPVRHENLCRI-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 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502636) is 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1ccc(-c2c3ccccc3c(-c3ccc(O)c4ncccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2cccnc12.
What is the InChIKey of 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The InChIKey is OFEVPVRHENLCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c56-45-26-24-37(40-14-8-28-52-49(40)45)47-35-12-4-5-13-36(35)48(38-25-27-46(57)50-41(38)15-9-29-53-50)42-30-33(22-23-39(42)47)31-18-20-32(21-19-31)51-54-43-16-6-7-17-44(43)55(51)34-10-2-1-3-11-34/h1-30,56-57H.
What are the key properties of 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
5-[10-(8-hydroxyquinolin-5-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 5-[10-(8-hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).