chempirical

1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione

C36H38N2O2CAS 32724-62-2530.71 g/mol

Open in Covalent MOL file
NHNHOO
KetoneSecondary amine

Properties

Molecular formula
C36H38N2O2
Molar mass
530.71 g/mol
Exact mass
530.2933 Da
logP
8.82Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8

Hazards

Not classified as hazardous under GHS by 230 ECHA notifiers. Aggregated from 230 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
32724-62-2
SMILES
CCc1cc(C)cc(CC)c1Nc1ccc(Nc2c(CC)cc(C)cc2CC)c2c1C(=O)c1ccccc1C2=O
InChIKey
IBABXJRXGSAJLQ-UHFFFAOYSA-N
InChI
InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3

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

Names and synonyms

15 names · show all
  • 9,10-Anthracenedione, 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-
  • Anthraquinone, 1,4-bis(2,6-diethyl-p-toluidino)-
  • 1,4-Bis(2,6-diethyl-4-methylanilino)anthraquinone
  • 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone
  • N,N′-Bis(2,6-diethyl-4-methylphenyl)-1,4-diaminoanthraquinone
  • Macrolex blue RR
  • C.I. Solvent blue 97
  • Solvent blue 97
  • C.I. 615290
  • Macrolex blue RR gran
  • KP plast blue R
  • 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]anthracene-9,10-dione
  • Macrolex blue 2R
  • M-Blue 2R
  • 1,4-Bis(2,6-diethyl-4-toluidino)anthraquinone

Work with 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione

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

Solvent blue 104116-75-669 % similar Quinizarine green ss128-80-358 % similar Solvent blue 596994-46-351 % similar Solvent violet 1381-48-150 % similar Acid green 254403-90-148 % similar Disperse blue 142475-44-748 % similar Oil blue 3517354-14-247 % similar Acid blue 804474-24-245 % similar

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

Elsewhere

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