About 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (PubChem CID 165148575) has the molecular formula C63H50FN3
and a molecular weight of 868.11 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.
Molecular Properties
| Compound Name | 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine |
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| PubChem CID | 165148575 |
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| Molecular Formula | C63H50FN3 |
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| Molecular Weight | 868.11 g/mol |
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| Exact Mass | 867.40 |
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| IUPAC Name | 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine |
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| SMILES | Cc1cc(-c2ccccc2)ncc1CCc1cc(CCc2cnc(-c3ccccc3)cc2C)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1 |
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| InChI | InChI=1S/C63H50FN3/c1-43-33-61(50-17-9-4-10-18-50)65-40-53(43)25-23-45-35-46(24-26-54-41-66-62(34-44(54)2)51-19-11-5-12-20-51)37-55(36-45)58-38-56(64)31-32-57(58)60-42-67-63(52-21-13-6-14-22-52)39-59(60)49-29-27-48(28-30-49)47-15-7-3-8-16-47/h3-22,27-42H,23-26H2,1-2H3 |
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| InChIKey | NVZVWXZYYYODHK-UHFFFAOYSA-N |
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| XLogP | 15.87 |
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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 | 13 |
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| Heavy Atoms | 67 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 868.11 |
| LogP ≤ 5 | 15.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (CID 165148575) is 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is Cc1cc(-c2ccccc2)ncc1CCc1cc(CCc2cnc(-c3ccccc3)cc2C)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The InChIKey is NVZVWXZYYYODHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50FN3/c1-43-33-61(50-17-9-4-10-18-50)65-40-53(43)25-23-45-35-46(24-26-54-41-66-62(34-44(54)2)51-19-11-5-12-20-51)37-55(36-45)58-38-56(64)31-32-57(58)60-42-67-63(52-21-13-6-14-22-52)39-59(60)49-29-27-48(28-30-49)47-15-7-3-8-16-47/h3-22,27-42H,23-26H2,1-2H3.
What are the key properties of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine has a molecular weight of 868.11 g/mol, XLogP of 15.87, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 165148575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).