chempirical

Dianthrimide

C28H15NO4CAS 82-22-4429.43 g/mol

Open in Covalent MOL file
OONHOO
KetoneSecondary amine

Properties

Molecular formula
C28H15NO4
Molar mass
429.43 g/mol
Exact mass
429.1001 Da
Melting point
320–324 °C
logP
4.98Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
82-22-4
SMILES
O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21
InChIKey
WITKIIIPSSFHST-UHFFFAOYSA-N
InChI
InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H

Weigh it out

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

Names and synonyms

11 names
  • 9,10-Anthracenedione, 1,1′-iminobis-
  • Anthraquinone, 1,1′-iminodi-
  • 1,1′-Iminobis[9,10-anthracenedione]
  • Anthrimide
  • 1,1′-Dianthraquinonylamine
  • 1,1′-Dianthrimide
  • Bis(1-anthraquinonyl)amine
  • NSC 7226
  • AISE 4
  • Bis(anthraquinon-1-yl)amino
  • 1-[(9,10-Dioxoanthracen-1-yl)amino]anthracene-9,10-dione

Work with Dianthrimide

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

Disperse red 982-38-271 % similar 1-Hydroxyanthraquinone129-43-156 % similar 1-Aminoanthraquinone82-45-156 % similar Anthraquinone84-65-156 % similar 4′,4′′′-(1,2-Diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)[1,1′-biphenyl]-4-carboxamide]12227-50-855 % similar Disperse blue 142475-44-752 % similar Quinizarine green ss128-80-351 % similar Benz[A]anthracene-7,12-dione2498-66-050 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook