3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine

C33H28FN — CID 57408846

IUPAC3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine
SMILESCCc1ccc(-c2cc(Cc3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C33H28FN/c1-3-24-11-15-26(16-12-24)31-22-29(21-25-7-5-4-6-8-25)32(27-17-19-30(34)20-18-27)35-33(31)28-13-9-23(2)10-14-28/h4-20,22H,3,21H2,1-2H3
InChIKeyIVSWXZGLHGZKBT-UHFFFAOYSA-N
MW457.59 g/mol
LogP8.68
Rot. Bonds6

About 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine

3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine (PubChem CID 57408846) has the molecular formula C33H28FN and a molecular weight of 457.59 g/mol. Its IUPAC name is 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine
PubChem CID57408846
Molecular FormulaC33H28FN
Molecular Weight457.59 g/mol
Exact Mass457.22
IUPAC Name3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine
SMILESCCc1ccc(-c2cc(Cc3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C33H28FN/c1-3-24-11-15-26(16-12-24)31-22-29(21-25-7-5-4-6-8-25)32(27-17-19-30(34)20-18-27)35-33(31)28-13-9-23(2)10-14-28/h4-20,22H,3,21H2,1-2H3
InChIKeyIVSWXZGLHGZKBT-UHFFFAOYSA-N
XLogP8.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine?
The IUPAC name of 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine (CID 57408846) is 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine.
What is the SMILES notation for 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine?
The canonical SMILES for 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine is CCc1ccc(-c2cc(Cc3ccccc3)c(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine?
The InChIKey is IVSWXZGLHGZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN/c1-3-24-11-15-26(16-12-24)31-22-29(21-25-7-5-4-6-8-25)32(27-17-19-30(34)20-18-27)35-33(31)28-13-9-23(2)10-14-28/h4-20,22H,3,21H2,1-2H3.
What are the key properties of 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine?
3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine has a molecular weight of 457.59 g/mol, XLogP of 8.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine is sourced from PubChem (CID 57408846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).