4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine

C24H18FN — CID 162709839

IUPAC4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
SMILESFc1ccc(-c2cccc(-c3cc(Cc4ccccc4)ccn3)c2)cc1
InChIInChI=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
InChIKeyMGGMBDANFBWPRN-UHFFFAOYSA-N
MW339.41 g/mol
LogP6.15
Rot. Bonds4

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 Name4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
PubChem CID162709839
Molecular FormulaC24H18FN
Molecular Weight339.41 g/mol
Exact Mass339.14
IUPAC Name4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
SMILESFc1ccc(-c2cccc(-c3cc(Cc4ccccc4)ccn3)c2)cc1
InChIInChI=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
InChIKeyMGGMBDANFBWPRN-UHFFFAOYSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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).