chempirical

3-[(9,10-Dihydro-9,10-dioxo-1-anthracenyl)amino]anthra[2,1,9-mna]naphth[2,3-H]acridine-5,10,15(16H)-trione

C45H22N2O5CAS 4395-53-3670.68 g/mol

Open in Covalent MOL file
OOHNONHOO
KetoneSecondary amine

Properties

Molecular formula
C45H22N2O5
Molar mass
670.68 g/mol
Exact mass
670.1529 Da
logP
8.87Crippen estimate
Polar surface area
113.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
4395-53-3
SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc4c(c3)c(=O)c3ccc5c6ccc7c(c6[nH]c6ccc4c3c65)C(=O)c3ccccc3C7=O)cccc21
InChIKey
JACFBUVEFBYGAX-UHFFFAOYSA-N
InChI
InChI=1S/C45H22N2O5/c48-41-26-6-1-3-8-28(26)44(51)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(50)33(22)20-21)25-15-17-32-39(40(25)47-35)45(52)29-9-4-2-7-27(29)42(32)49/h1-20,46-47H

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

Names and synonyms

54 names · show all
  • Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 3-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
  • Amanthrene olive T
  • Amanthrene olive S-MF
  • Atic vat olive D
  • Belanthrene olive T
  • Benzadone olive T
  • Calcoloid olive T
  • Calcoloid olive TCC
  • Calcoloid olive TL
  • Calcoloid olive TRRC
  • Caledon olive D
  • Carbanthrene olive T
  • Cibanone olive S
  • Cibanone olive FS
  • Cibanone olive SR
  • Cibanone olive SRR
  • C.I. Vat black 25
  • Fenanthren olive T
  • Fenanthren olive T 3R
  • Indanthrene olive T 3R
  • Indanthren olive T
  • Mayvat olive T
  • Mikethrene olive T
  • Nihonthrene olive T
  • Nyanthrene olive T
  • Palanthrene olive T
  • Palanthrene olive TR
  • Paradone olive T
  • Pernithrene olive T
  • Ponsol olive T
  • Ponsol olive TR
  • Romantrene olive T
  • Romantrene olive FT
  • Sandothrene olive NT
  • Solanthrene olive T
  • Tinon olive S
  • Tinon olive SR
  • Tinon olive SRR
  • Tyrian olive I-T
  • Vat grey 2Z
  • Vat olive T
  • Vat gray 2Z
  • Solanthrene olive F-T
  • Helanthrene olive BT
  • Helanthrene olive T
  • Vat black 25
  • Novatic olive D
  • Navinon olive T-U/D
  • Bezathren olive T
  • Vat olive green T
  • Indanthrene olive T
  • Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 3-(1-anthraquinonylamino)-
  • C.I. 69525
  • Ahcovat olive T

Work with 3-[(9,10-Dihydro-9,10-dioxo-1-anthracenyl)amino]anthra[2,1,9-mna]naphth[2,3-H]acridine-5,10,15(16H)-trione

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

Vat green 33271-76-971 % similar Dianthrimide82-22-444 % similar Disperse red 982-38-239 % similar Quinizarine green ss128-80-335 % similar Indanthrone blue81-77-633 % similar 4′,4′′′-(1,2-Diazenediyl)bis[N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)[1,1′-biphenyl]-4-carboxamide]12227-50-832 % similar 1-Hydroxyanthraquinone129-43-132 % similar Solvent red 5281-39-032 % similar

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

Elsewhere

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