4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid

C₅₄H₃₆O₈CAS 1610858-96-2812.87 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₅₄H₃₆O₈
Molar mass: 812.87 g/mol
Exact mass: 812.2410 Da
logP: 12.15Crippen estimate
Polar surface area: 149.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 12

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

1610858-96-2

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C8=CC=C(C=C8)C(=O)O

InChIKey

IIIWRSPHUBZZOB-UHFFFAOYSA-N

InChI

InChI=1S/C54H36O8/c55-51(56)45-25-9-37(10-26-45)33-1-17-41(18-2-33)49(42-19-3-34(4-20-42)38-11-27-46(28-12-38)52(57)58)50(43-21-5-35(6-22-43)39-13-29-47(30-14-39)53(59)60)44-23-7-36(8-24-44)40-15-31-48(32-16-40)54(61)62/h1-32H,(H,55,56)(H,57,58)(H,59,60)(H,61,62)

Weigh it out

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

Names and synonyms

1 names

[1,1'-Biphenyl]-4-carboxylic acid, 4'-[1,2,2-tris(4'-carboxy[1,1'-biphenyl]-4-yl)ethenyl]-

Work with 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic 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)ethylene1351279-73-686 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-486 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-286 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-275 % similar 1,3,5-Tris(4-carboxyphenyl)benzene50446-44-175 % similar 4-(4-(3,5-Bis(4-(4-carboxyphenyl)phenyl)phenyl)phenyl)benzoic acid911818-75-275 % similar 4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-072 % similar [1,1′-Biphenyl]-4-carboxylic acid92-92-272 % similar

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

Elsewhere

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