9,10-Di(P-carboxyphenyl)anthracene

C₂₈H₁₈O₄CAS 42824-53-3418.45 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₈H₁₈O₄
Molar mass: 418.45 g/mol
Exact mass: 418.1205 Da
logP: 6.72Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
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

42824-53-3

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O

InChIKey

ZSLCDSMUKOZRPQ-UHFFFAOYSA-N

InChI

InChI=1S/C28H18O4/c29-27(30)19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)18-11-15-20(16-12-18)28(31)32/h1-16H,(H,29,30)(H,31,32)

Weigh it out

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Work with 9,10-Di(P-carboxyphenyl)anthracene

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

[1,1′-Biphenyl]-4-carboxylic acid92-92-268 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-465 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-265 % similar Terephthalic acid100-21-060 % similar Benzoic acid65-85-059 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-259 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-259 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-159 % similar

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

Same formula

Naphtholphthalein596-01-0

Elsewhere

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