chempirical

Hexaphenylbenzene

C42H30CAS 992-04-1534.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C42H30
Molar mass
534.70 g/mol
Exact mass
534.2348 Da
logP
11.69Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

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
992-04-1
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChIKey
QBHWPVJPWQGYDS-UHFFFAOYSA-N
InChI
InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H

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Names and synonyms

7 names
  • 1,2,3,4,5,6-Hexakis-phenylbenzene
  • Benzene, hexaphenyl-
  • 3',4',5',6'-Tetraphenyl-o-terphenyl
  • 1,2,3,4,5,6-Hexaphenylbenzene
  • m-Terphenyl, 2',4',5',6'-tetraphenyl-
  • m-Terphenyl,4',5',6'-tetraphenyl-
  • Benzene, hexap

Reactions

Work with Hexaphenylbenzene

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

1,2,3,4-Tetraphenylnaphthalene751-38-273 % similar 9,10-Diphenylanthracene1499-10-167 % similar Biphenyl92-52-467 % similar 9,10-Diphenylphenanthrene602-15-363 % similar para-Quaterphenyl135-70-662 % similar Azulene275-51-462 % similar P-Quinquephenyl3073-05-062 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-662 % similar

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

Elsewhere

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