chempirical

4-Nitro-N,N-bis(4-nitrophenyl)benzenamine

C18H12N4O6CAS 20440-93-1380.32 g/mol

Open in Covalent MOL file
ON+O−NN+OO−N+OO−
NitroTertiary amine

Properties

Molecular formula
C18H12N4O6
Molar mass
380.32 g/mol
Exact mass
380.0757 Da
Melting point
349–350 °C
logP
4.88Crippen estimate
Polar surface area
132.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6

Identifiers

CAS number
20440-93-1
SMILES
O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
LSNJBIDKQIRWRQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
  • Triphenylamine, 4,4′,4′′-trinitro-
  • Tris(p-nitrophenyl)amine
  • Tri(p-nitrophenyl)amine
  • Tris(4-nitrophenyl)amine
  • Tri(4-nitrophenyl)amine
  • 4,4′,4′′-Trinitrotriphenylamine

Work with 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine

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

1,4-Dinitrobenzene100-25-471 % similar N,N-Dimethyl-4-nitroaniline100-23-267 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-163 % similar 4-Nitrochlorobenzene100-00-562 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-160 % similar 1-(4-Nitrophenyl)piperidine6574-15-860 % similar 4-(4-Nitrophenyl)morpholine10389-51-256 % similar 1-(4-Nitrophenyl)piperazine6269-89-256 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook