About 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 23391307) has the molecular formula C56H36N6
and a molecular weight of 792.95 g/mol. Its IUPAC name is 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
Molecular Properties
| Compound Name | 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine |
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| PubChem CID | 23391307 |
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| Molecular Formula | C56H36N6 |
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| Molecular Weight | 792.95 g/mol |
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| Exact Mass | 792.30 |
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| IUPAC Name | 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine |
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| SMILES | c1ccc(-c2ccccc2-n2c(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1 |
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| InChI | InChI=1S/C56H36N6/c1-3-17-37(18-4-1)44-23-11-13-29-51(44)61-53(59-49-27-15-31-57-55(49)61)41-33-40(48-36-39-21-7-8-22-43(39)46-25-9-10-26-47(46)48)34-42(35-41)54-60-50-28-16-32-58-56(50)62(54)52-30-14-12-24-45(52)38-19-5-2-6-20-38/h1-36H |
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| InChIKey | SVPFRYNPWLUUAN-UHFFFAOYSA-N |
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| XLogP | 13.80 |
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| TPSA | 61.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 792.95 |
| LogP ≤ 5 | 13.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (CID 23391307) is 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is c1ccc(-c2ccccc2-n2c(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is SVPFRYNPWLUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-3-17-37(18-4-1)44-23-11-13-29-51(44)61-53(59-49-27-15-31-57-55(49)61)41-33-40(48-36-39-21-7-8-22-43(39)46-25-9-10-26-47(46)48)34-42(35-41)54-60-50-28-16-32-58-56(50)62(54)52-30-14-12-24-45(52)38-19-5-2-6-20-38/h1-36H.
What are the key properties of 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenanthren-9-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).