About 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine
2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine (PubChem CID 122487917) has the molecular formula C54H39FN2
and a molecular weight of 734.92 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine.
Molecular Properties
| Compound Name | 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine |
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| PubChem CID | 122487917 |
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| Molecular Formula | C54H39FN2 |
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| Molecular Weight | 734.92 g/mol |
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| Exact Mass | 734.31 |
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| IUPAC Name | 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine |
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| SMILES | Cc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2C)c1 |
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| InChI | InChI=1S/C54H39FN2/c1-36-31-39(53-19-9-11-29-56-53)23-27-45(36)51-17-7-5-15-49(51)42-33-41(48-14-4-3-13-47(48)38-21-25-44(55)26-22-38)34-43(35-42)50-16-6-8-18-52(50)46-28-24-40(32-37(46)2)54-20-10-12-30-57-54/h3-35H,1-2H3 |
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| InChIKey | BZBAAYMVQRPTNE-UHFFFAOYSA-N |
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| XLogP | 14.57 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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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 | 734.92 |
| LogP ≤ 5 | 14.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine?
The IUPAC name of 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine (CID 122487917) is 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine is Cc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2C)c1.
What is the InChIKey of 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine?
The InChIKey is BZBAAYMVQRPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39FN2/c1-36-31-39(53-19-9-11-29-56-53)23-27-45(36)51-17-7-5-15-49(51)42-33-41(48-14-4-3-13-47(48)38-21-25-44(55)26-22-38)34-43(35-42)50-16-6-8-18-52(50)46-28-24-40(32-37(46)2)54-20-10-12-30-57-54/h3-35H,1-2H3.
What are the key properties of 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine?
2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine has a molecular weight of 734.92 g/mol, XLogP of 14.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methylphenyl]pyridine is sourced from PubChem (CID 122487917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).