2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine

C26H23N — CID 162709142

IUPAC2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
SMILESCc1ccc(-c2cc(C)c(-c3ccccc3)cn2)cc1Cc1ccccc1
InChIInChI=1S/C26H23N/c1-19-13-14-23(17-24(19)16-21-9-5-3-6-10-21)26-15-20(2)25(18-27-26)22-11-7-4-8-12-22/h3-15,17-18H,16H2,1-2H3
InChIKeyWUFOCMCMWUQOPE-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.62
Rot. Bonds4

About 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine

2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine (PubChem CID 162709142) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
PubChem CID162709142
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
SMILESCc1ccc(-c2cc(C)c(-c3ccccc3)cn2)cc1Cc1ccccc1
InChIInChI=1S/C26H23N/c1-19-13-14-23(17-24(19)16-21-9-5-3-6-10-21)26-15-20(2)25(18-27-26)22-11-7-4-8-12-22/h3-15,17-18H,16H2,1-2H3
InChIKeyWUFOCMCMWUQOPE-UHFFFAOYSA-N
XLogP6.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine?
The IUPAC name of 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine (CID 162709142) is 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine is Cc1ccc(-c2cc(C)c(-c3ccccc3)cn2)cc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine?
The InChIKey is WUFOCMCMWUQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-19-13-14-23(17-24(19)16-21-9-5-3-6-10-21)26-15-20(2)25(18-27-26)22-11-7-4-8-12-22/h3-15,17-18H,16H2,1-2H3.
What are the key properties of 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine?
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine has a molecular weight of 349.48 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine is sourced from PubChem (CID 162709142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).