chempirical

4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid

C22H15N3O2CAS 158014-74-5353.38 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C22H15N3O2
Molar mass
353.38 g/mol
Exact mass
353.1164 Da
logP
4.57Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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
158014-74-5
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)O
InChIKey
RPRRPKJKACRJDD-UHFFFAOYSA-N
InChI
InChI=1S/C22H15N3O2/c26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19/h1-14H,(H,26,27)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic 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

2,2':6',2''-Terpyridine-4'-carboxylic acid148332-36-976 % similar 4-(2-Pyridyl)benzoic acid4385-62-073 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-663 % similar 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-956 % similar 4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine89972-77-056 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-256 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-156 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-256 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook