About 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine (PubChem CID 162709839) has the molecular formula C24H18FN
and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine.
Molecular Properties
| Compound Name | 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine |
| PubChem CID | 162709839 |
| Molecular Formula | C24H18FN |
| Molecular Weight | 339.41 g/mol |
| Exact Mass | 339.14 |
| IUPAC Name | 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine |
| SMILES | Fc1ccc(-c2cccc(-c3cc(Cc4ccccc4)ccn3)c2)cc1 |
| InChI | InChI=1S/C24H18FN/c25-23-11-9-20(10-12-23)21-7-4-8-22(17-21)24-16-19(13-14-26-24)15-18-5-2-1-3-6-18/h1-14,16-17H,15H2 |
| InChIKey | MGGMBDANFBWPRN-UHFFFAOYSA-N |
| XLogP | 6.15 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 339.41 |
| LogP ≤ 5 | 6.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine?
The IUPAC name of 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine (CID 162709839) is 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine.
What is the SMILES notation for 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine?
The canonical SMILES for 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine is Fc1ccc(-c2cccc(-c3cc(Cc4ccccc4)ccn3)c2)cc1.
What is the InChIKey of 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine?
The InChIKey is MGGMBDANFBWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN/c25-23-11-9-20(10-12-23)21-7-4-8-22(17-21)24-16-19(13-14-26-24)15-18-5-2-1-3-6-18/h1-14,16-17H,15H2.
What are the key properties of 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine?
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine has a molecular weight of 339.41 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine is sourced from PubChem (CID 162709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).