3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid

C25H19NO2 — CID 54097224

IUPAC3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C(=O)O)c3)c2)cc1
InChIInChI=1S/C25H19NO2/c1-17-10-12-18(13-11-17)22-15-23(19-6-3-2-4-7-19)26-24(16-22)20-8-5-9-21(14-20)25(27)28/h2-16H,1H3,(H,27,28)
InChIKeyMXYXCAHXBVPLQE-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.09
Rot. Bonds4

About 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid

3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid (PubChem CID 54097224) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
PubChem CID54097224
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C(=O)O)c3)c2)cc1
InChIInChI=1S/C25H19NO2/c1-17-10-12-18(13-11-17)22-15-23(19-6-3-2-4-7-19)26-24(16-22)20-8-5-9-21(14-20)25(27)28/h2-16H,1H3,(H,27,28)
InChIKeyMXYXCAHXBVPLQE-UHFFFAOYSA-N
XLogP6.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 121285161
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
3-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid
CID 11580141
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid
CID 58156745
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The IUPAC name of 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid (CID 54097224) is 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid.
What is the SMILES notation for 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The canonical SMILES for 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid is Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C(=O)O)c3)c2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The InChIKey is MXYXCAHXBVPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-17-10-12-18(13-11-17)22-15-23(19-6-3-2-4-7-19)26-24(16-22)20-8-5-9-21(14-20)25(27)28/h2-16H,1H3,(H,27,28).
What are the key properties of 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid has a molecular weight of 365.43 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid is sourced from PubChem (CID 54097224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).