chempirical

4′,4′′′-(1,2-Diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)[1,1′-biphenyl]-4-carboxamide]

C54H32N4O6CAS 12227-50-8832.87 g/mol

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ONHOONNONHOO
AmideAzoKetone

Properties

Molecular formula
C54H32N4O6
Molar mass
832.87 g/mol
Exact mass
832.2322 Da
logP
11.49Crippen estimate
Polar surface area
151.2 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
8

Identifiers

CAS number
12227-50-8
SMILES
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-c2ccc(N=Nc3ccc(-c4ccc(C(=O)Nc5cccc6c5C(=O)c5ccccc5C6=O)cc4)cc3)cc2)cc1
InChIKey
AJDUTMFFZHIJEM-UHFFFAOYSA-N
InChI
InChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)

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

Names and synonyms

8 names
  • [1,1′-Biphenyl]-4-carboxamide, 4′,4′′′-(1,2-diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
  • C.I. Vat yellow 33
  • [1,1′-Biphenyl]-4-carboxamide, 4′,4′′′-azobis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
  • Nihonthrene yellow 3GC
  • Tinon yellow 2G-F
  • C.I. 65429
  • Indanthren yellow F 3GC
  • Vat yellow 33

Work with 4′,4′′′-(1,2-Diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)[1,1′-biphenyl]-4-carboxamide]

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

Dianthrimide82-22-455 % similar Disperse red 982-38-248 % similar Tacedinaline112522-64-239 % similar 1-Hydroxyanthraquinone129-43-138 % similar p-Phenylbenzoic acid hydrazide18622-23-638 % similar 1-Aminoanthraquinone82-45-138 % similar Disperse blue 142475-44-735 % similar Anthraquinone84-65-135 % similar

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

Elsewhere

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