chempirical

16,17-Dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione

C34H16O4CAS 128-59-6488.50 g/mol

Open in Covalent MOL file
OOHOHO
KetonePhenol

Properties

Molecular formula
C34H16O4
Molar mass
488.50 g/mol
Exact mass
488.1049 Da
logP
7.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
128-59-6
SMILES
O=C1c2ccccc2-c2cc(O)c3c4c(O)cc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5
InChIKey
MGYICCKROPVHMA-UHFFFAOYSA-N
InChI
InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H

Weigh it out

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

Names and synonyms

5 names
  • Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dihydroxy-
  • Violanthrone, 16,17-dihydroxy-
  • 16,17-Dihydroxydibenzanthrone
  • 16,17-Dihydroxyviolanthrone
  • NSC 23126

Work with 16,17-Dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione

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

Violanthrone116-71-264 % similar Isoviolanthrone128-64-364 % similar Pyranthrone128-70-161 % similar Vat green 1128-58-560 % similar Fluorenone486-25-952 % similar 2-Hydroxyfluorenone6949-73-150 % similar Benzanthrone82-05-349 % similar 2,2′-Dihydroxybenzophenone835-11-047 % similar

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

Elsewhere

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