About 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole (PubChem CID 20771524) has the molecular formula C70H46N4
and a molecular weight of 943.17 g/mol. Its IUPAC name is 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole.
Molecular Properties
| Compound Name | 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole |
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| PubChem CID | 20771524 |
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| Molecular Formula | C70H46N4 |
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| Molecular Weight | 943.17 g/mol |
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| Exact Mass | 942.37 |
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| IUPAC Name | 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole |
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| SMILES | c1ccc(-c2ccccc2-c2c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1 |
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| InChI | InChI=1S/C70H46N4/c1-5-21-48(22-6-1)55-29-13-15-31-57(55)67-60-44-42-52(70-72-64-34-18-20-36-66(64)74(70)54-27-11-4-12-28-54)46-62(60)68(58-32-16-14-30-56(58)49-23-7-2-8-24-49)59-43-41-51(45-61(59)67)47-37-39-50(40-38-47)69-71-63-33-17-19-35-65(63)73(69)53-25-9-3-10-26-53/h1-46H |
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| InChIKey | FUFFWBVSYPLYBK-UHFFFAOYSA-N |
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| XLogP | 18.34 |
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| TPSA | 35.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 74 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 943.17 |
| LogP ≤ 5 | 18.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole (CID 20771524) is 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole is c1ccc(-c2ccccc2-c2c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The InChIKey is FUFFWBVSYPLYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-5-21-48(22-6-1)55-29-13-15-31-57(55)67-60-44-42-52(70-72-64-34-18-20-36-66(64)74(70)54-27-11-4-12-28-54)46-62(60)68(58-32-16-14-30-56(58)49-23-7-2-8-24-49)59-43-41-51(45-61(59)67)47-37-39-50(40-38-47)69-71-63-33-17-19-35-65(63)73(69)53-25-9-3-10-26-53/h1-46H.
What are the key properties of 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole has a molecular weight of 943.17 g/mol, XLogP of 18.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 20771524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).