chempirical

9,9′-Bianthryl

C28H18CAS 1055-23-8354.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C28H18
Molar mass
354.45 g/mol
Exact mass
354.1409 Da
Melting point
above 360 °C
logP
7.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1055-23-8
SMILES
c1ccc2c(-c3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIKey
SXGIRTCIFPJUEQ-UHFFFAOYSA-N
InChI
InChI=1S/C28H18/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-18H

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Names and synonyms

7 names
  • 9,9′-Bianthracene
  • 9,9′-Dianthracene
  • 9-(9-Anthryl)anthracene
  • 9,9′-Bianthracenyl
  • 9,9′-Bisanthryl
  • 9,9′-Dianthryl
  • NSC 179353

Work with 9,9′-Bianthryl

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

9-Phenylanthracene602-55-170 % similar 9-Bromoanthracene1564-64-357 % similar Benz(A)anthracene56-55-357 % similar 9-Chloroanthracene716-53-057 % similar 9-Methylanthracene779-02-257 % similar Anthracene120-12-756 % similar Dibenz(A,H)anthracene53-70-355 % similar Dibenzo[A,H]pyrene189-64-055 % similar

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

Elsewhere

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