chempirical

4-(1,2,2-Triphenyl vinyl)benzoic acid

C27H20O2CAS 197153-87-0376.46 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C27H20O2
Molar mass
376.46 g/mol
Exact mass
376.1463 Da
logP
6.39Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
197153-87-0
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
InChIKey
BYQULXPMSUDNFL-UHFFFAOYSA-N
InChI
InChI=1S/C27H20O2/c28-27(29)24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H,(H,28,29)

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Names and synonyms

1 names
  • 4-(1,2,2-Triphenylvinyl)benzoic Acid

Work with 4-(1,2,2-Triphenyl vinyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrakis(4-carboxyphenyl)ethylene1351279-73-682 % similar Benzoic acid65-85-082 % similar 4-Benzoylbenzoic acid611-95-073 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-272 % similar Ammonium benzoate1863-63-472 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-269 % similar Terephthalic acid100-21-068 % similar 4-Phenoxybenzoic acid2215-77-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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