chempirical

4,4′,4′′-Triphenylmethane triisocyanate

C22H13N3O3CAS 2422-91-5367.36 g/mol

Open in Covalent MOL file
ONNONO
Isocyanate

Properties

Molecular formula
C22H13N3O3
Molar mass
367.36 g/mol
Exact mass
367.0957 Da
Boiling point
265 °C (at NaN Torr)
logP
4.77Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Identifiers

CAS number
2422-91-5
SMILES
O=C=Nc1ccc(C(c2ccc(N=C=O)cc2)c2ccc(N=C=O)cc2)cc1
InChIKey
LTIKIBFTASQKMM-UHFFFAOYSA-N
InChI
InChI=1S/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-
  • Isocyanic acid, methylidynetri-p-phenylene ester
  • Methane, tris(p-isocyanatophenyl)-
  • 1,1′,1′′-Methylidynetris[4-isocyanatobenzene]
  • Tris(4-isocyanatophenyl)methane
  • Tris(p-isocyanatophenyl)methane
  • 4,4′,4′′-Triisocyanatotriphenylmethane
  • Methylidynetri-p-phenylene isocyanate
  • Triphenylmethane-4,4′,4′′-triyl triisocyanate
  • TTI
  • JQ 1
  • 1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene

Work with 4,4′,4′′-Triphenylmethane triisocyanate

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

P-Phenylene diisocyanate104-49-471 % similar 4-Isopropylphenyl isocyanate31027-31-367 % similar 4-Chlorophenyl isocyanate104-12-158 % similar Phenyl isocyanate103-71-956 % similar 4-Fluorophenyl isocyanate1195-45-556 % similar 4-Bromophenyl isocyanate2493-02-956 % similar 4-Methylphenyl isocyanate622-58-256 % similar 4-Cyanophenyl isocyanate40465-45-052 % similar

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

Elsewhere

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