1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

C34H22O8CAS 1078153-58-8558.54 g/mol

Open in Covalent MOL file
OOHOHOOOHOOH
Carboxylic acid

Properties

Molecular formula
C34H22O8
Molar mass
558.54 g/mol
Exact mass
558.1315 Da
logP
7.15Crippen estimate
Polar surface area
149.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1078153-58-8
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C(=O)O
InChIKey
SRTQKANXPMBQCX-UHFFFAOYSA-N
InChI
InChI=1S/C34H22O8/c35-31(36)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(39)40)30(22-7-15-26(16-8-22)34(41)42)18-28(27)20-3-11-24(12-4-20)32(37)38/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

Weigh it out

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Work with 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

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

4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzoic acid933047-52-075 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-474 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-274 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-272 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-172 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-272 % similar Terephthalic acid100-21-068 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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