About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine (PubChem CID 164776327) has the molecular formula C67H51N3
and a molecular weight of 898.17 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine.
Molecular Properties
| Compound Name | 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine |
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| PubChem CID | 164776327 |
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| Molecular Formula | C67H51N3 |
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| Molecular Weight | 898.17 g/mol |
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| Exact Mass | 897.41 |
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| IUPAC Name | 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine |
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| SMILES | c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccn5)ccc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccn6)cc5)cc(CCc5ccc(-c6ccccn6)cc5)c4)cc3)c2)cc1 |
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| InChI | InChI=1S/C67H51N3/c1-2-13-52(14-3-1)57-15-12-16-58(46-57)53-34-36-54(37-35-53)64-47-59(67-21-8-11-42-70-67)38-39-63(64)62-18-5-4-17-61(62)60-44-50(24-22-48-26-30-55(31-27-48)65-19-6-9-40-68-65)43-51(45-60)25-23-49-28-32-56(33-29-49)66-20-7-10-41-69-66/h1-21,26-47H,22-25H2 |
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| InChIKey | AFJJPWJEOVDNRS-UHFFFAOYSA-N |
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| XLogP | 16.78 |
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| TPSA | 38.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 898.17 |
| LogP ≤ 5 | 16.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine (CID 164776327) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccn5)ccc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccn6)cc5)cc(CCc5ccc(-c6ccccn6)cc5)c4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine?
The InChIKey is AFJJPWJEOVDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N3/c1-2-13-52(14-3-1)57-15-12-16-58(46-57)53-34-36-54(37-35-53)64-47-59(67-21-8-11-42-70-67)38-39-63(64)62-18-5-4-17-61(62)60-44-50(24-22-48-26-30-55(31-27-48)65-19-6-9-40-68-65)43-51(45-60)25-23-49-28-32-56(33-29-49)66-20-7-10-41-69-66/h1-21,26-47H,22-25H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine has a molecular weight of 898.17 g/mol, XLogP of 16.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 164776327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).