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

C25H19NO2 — CID 54333176

IUPAC4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C25H19NO2/c1-17-7-9-18(10-8-17)22-15-23(19-5-3-2-4-6-19)26-24(16-22)20-11-13-21(14-12-20)25(27)28/h2-16H,1H3,(H,27,28)
InChIKeySZTJWMNRQWOGCK-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.09
Rot. Bonds4

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

4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid (PubChem CID 54333176) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
PubChem CID54333176
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C25H19NO2/c1-17-7-9-18(10-8-17)22-15-23(19-5-3-2-4-6-19)26-24(16-22)20-11-13-21(14-12-20)25(27)28/h2-16H,1H3,(H,27,28)
InChIKeySZTJWMNRQWOGCK-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid (CID 54333176) is 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid is Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C(=O)O)cc3)c2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
The InChIKey is SZTJWMNRQWOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-17-7-9-18(10-8-17)22-15-23(19-5-3-2-4-6-19)26-24(16-22)20-11-13-21(14-12-20)25(27)28/h2-16H,1H3,(H,27,28).
What are the key properties of 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid?
4-[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 4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid is sourced from PubChem (CID 54333176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).