4-(2,3,5-triphenylphenyl)benzoic acid

C31H22O2 — CID 101126682

IUPAC4-(2,3,5-triphenylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22O2/c32-31(33)26-18-16-24(17-19-26)29-21-27(22-10-4-1-5-11-22)20-28(23-12-6-2-7-13-23)30(29)25-14-8-3-9-15-25/h1-21H,(H,32,33)
InChIKeyGRUDCZZRTHELBM-UHFFFAOYSA-N
MW426.52 g/mol
LogP8.05
Rot. Bonds5

About 4-(2,3,5-triphenylphenyl)benzoic acid

4-(2,3,5-triphenylphenyl)benzoic acid (PubChem CID 101126682) has the molecular formula C31H22O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(2,3,5-triphenylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2,3,5-triphenylphenyl)benzoic acid
PubChem CID101126682
Molecular FormulaC31H22O2
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name4-(2,3,5-triphenylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C31H22O2/c32-31(33)26-18-16-24(17-19-26)29-21-27(22-10-4-1-5-11-22)20-28(23-12-6-2-7-13-23)30(29)25-14-8-3-9-15-25/h1-21H,(H,32,33)
InChIKeyGRUDCZZRTHELBM-UHFFFAOYSA-N
XLogP8.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4,6-triphenylphenyl)benzenesulfonic acid
CID 155640355
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
ethane;4-phenylbenzoic acid;propane
CID 156791718
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
4-[2-amino-3,5-bis(4-methylphenyl)phenyl]benzoic acid
CID 144851372
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
4-[5-[3,5-bis(4-carboxyphenyl)-4-methoxyphenyl]-3-(4-carboxyphenyl)-2-methoxyphenyl]benzoic acid
CID 132537880
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-triphenylphenyl)benzoic acid?
The IUPAC name of 4-(2,3,5-triphenylphenyl)benzoic acid (CID 101126682) is 4-(2,3,5-triphenylphenyl)benzoic acid.
What is the SMILES notation for 4-(2,3,5-triphenylphenyl)benzoic acid?
The canonical SMILES for 4-(2,3,5-triphenylphenyl)benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,3,5-triphenylphenyl)benzoic acid?
The InChIKey is GRUDCZZRTHELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O2/c32-31(33)26-18-16-24(17-19-26)29-21-27(22-10-4-1-5-11-22)20-28(23-12-6-2-7-13-23)30(29)25-14-8-3-9-15-25/h1-21H,(H,32,33).
What are the key properties of 4-(2,3,5-triphenylphenyl)benzoic acid?
4-(2,3,5-triphenylphenyl)benzoic acid has a molecular weight of 426.52 g/mol, XLogP of 8.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-triphenylphenyl)benzoic acid is sourced from PubChem (CID 101126682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).