chempirical

1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl

C36H26CAS 4499-83-6458.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C36H26
Molar mass
458.60 g/mol
Exact mass
458.2035 Da
Melting point
475 °C (sublimes)
logP
10.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
4499-83-6
SMILES
c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIKey
ZEMDSNVUUOCIED-UHFFFAOYSA-N
InChI
InChI=1S/C36H26/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H

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Names and synonyms

6 names
  • p-Sexiphenyl
  • 4,4′′′-Diphenyl-p-quaterphenyl
  • 1,1′:4′,1′′:4′′,1′′′-Quaterphenyl, 4,4′′′-diphenyl-
  • p-Hexaphenyl
  • p-Sexiphenylene
  • 1-Phenyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene

Work with 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl

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

Para-quaterphenyl135-70-6100 % similar Terphenyl92-94-4100 % similar Biphenyl92-52-490 % similar 1,3,5-Triphenylbenzene612-71-569 % similar M-Terphenyl92-06-864 % similar Bis-biphenyl-4-yl-amine102113-98-463 % similar 4-Iodobiphenyl1591-31-763 % similar 4,4′-Diphenylstilbene2039-68-163 % similar

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

Elsewhere

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