3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid

C23H16N2O2 — CID 11523191

IUPAC3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H16N2O2/c26-23(27)20-8-4-7-19(15-20)22-24-14-13-21(25-22)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,26,27)
InChIKeyGPHBWWABDMKVHT-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.18
Rot. Bonds4

About 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid

3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid (PubChem CID 11523191) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
PubChem CID11523191
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C23H16N2O2/c26-23(27)20-8-4-7-19(15-20)22-24-14-13-21(25-22)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,26,27)
InChIKeyGPHBWWABDMKVHT-UHFFFAOYSA-N
XLogP5.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-phenylphenyl)pyrimidin-2-yl]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

3-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid
CID 11580141
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
3-(2-hydrazinylpyrimidin-4-yl)benzoic acid
CID 127031221
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid?
The IUPAC name of 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid (CID 11523191) is 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid.
What is the SMILES notation for 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid?
The canonical SMILES for 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid is O=C(O)c1cccc(-c2nccc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid?
The InChIKey is GPHBWWABDMKVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-23(27)20-8-4-7-19(15-20)22-24-14-13-21(25-22)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15H,(H,26,27).
What are the key properties of 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid?
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid has a molecular weight of 352.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid is sourced from PubChem (CID 11523191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).