chempirical

Pyranthrone

C30H14O2CAS 128-70-1406.44 g/mol

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OO
Ketone

Properties

Molecular formula
C30H14O2
Molar mass
406.44 g/mol
Exact mass
406.0994 Da
logP
6.79Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
128-70-1
SMILES
O=c1c2ccccc2c2cc3ccc4c(=O)c5ccccc5c5cc6ccc1c2c6c3c45
InChIKey
LLBIOIRWAYBCKK-UHFFFAOYSA-N
InChI
InChI=1S/C30H14O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14H

Weigh it out

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

Names and synonyms

50 names · show all
  • 8,16-Pyranthrenedione
  • C.I. 59700
  • Ahcovat golden orange G
  • Amanthrene golden orange G
  • Benzadone gold orange G
  • Calcoloid golden orange GD
  • Calcoloid golden orange GFD
  • Caledon gold orange G
  • Caledon gold orange GN
  • Caledon paper gold orange G
  • Caledon printing orange G
  • Carbanthrene golden orange G
  • Carbanthrene golden orange GD
  • Carbanthrene golden orange GP
  • Carbanthrene printing golden orange G
  • Cibanone golden orange G
  • Cibanone golden orange FG
  • C.I. Pigment orange 40
  • C.I. Vat orange 9
  • Endurol golden orange G
  • Fenanthren golden orange G
  • Indanthrene golden orange G
  • Indanthrene golden orange GA
  • Indanthren golden orange G
  • Indanthren golden orange GLP
  • Indanthren gold orange G
  • Mikethrene gold orange G
  • Monolite fast gold orange GV
  • Nihonthrene golden orange G
  • Nyanthrene golden orange G
  • Palanthrene gold orange G
  • Paradone golden orange G
  • Ponsol golden orange G
  • Ponsol golden orange GD
  • Romantrene golden orange FG
  • Sandothrene golden orange NG
  • Solanthrene orange J
  • Tinon golden orange G
  • Tinon golden orange GN
  • Tyrian golden orange I-G
  • Mikethren gold orange G
  • Indanthrene gold orange G
  • Pyranthron
  • Solanthrene orange F-J
  • C.I. Pigment orange 41
  • Caledon golden orange G
  • Vat orange G
  • NSC 5267
  • NSC 667752
  • Indanthrene golden orange RG

Work with Pyranthrone

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 Fluorenone486-25-961 % similar 16,17-Dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione128-59-661 % similar Vat green 1128-58-556 % similar Vat yellow 1475-71-849 % similar 2-Amino-9H-fluoren-9-one3096-57-949 % similar 2-Hydroxyfluorenone6949-73-149 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook