chempirical

Bianthrone

C28H16O2CAS 434-85-5384.43 g/mol

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AlkeneKetone

Properties

Molecular formula
C28H16O2
Molar mass
384.43 g/mol
Exact mass
384.1150 Da
Melting point
above 300 °C
logP
5.78Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
434-85-5
SMILES
O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21
InChIKey
MGRRGKWPEVFJSH-UHFFFAOYSA-N
InChI
InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

Weigh it out

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

Names and synonyms

11 names
  • 9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-
  • [δ9,9′(10H,10′H)-Bianthracene]-10,10′-dione
  • δ10,10′-Bianthrone
  • 10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone
  • Dehydrodianthrone
  • Bisanthrone
  • BAN
  • NSC 627656
  • NSC 89778
  • Bianthrone A
  • [9,9′]Bianthracenylidene-10,10′-dione

Work with Bianthrone

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

Anthraquinone84-65-182 % similar Fluorenone486-25-962 % similar 1,2-Dibenzoylbenzene1159-86-059 % similar Dibenzosuberone1210-35-154 % similar 2,2′-Dihydroxybenzophenone835-11-054 % similar 2-Aminoanthraquinone117-79-352 % similar 2-Chloroanthraquinone131-09-952 % similar 2-Hydroxyanthraquinone605-32-352 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook