chempirical

Tris(2,4-dihydroxyphenyl)-1,3,5-triazine

C21H15N3O6CAS 2125-23-7405.37 g/mol

Open in Covalent MOL file
OHNOHHONHOOHNHO
Phenol

Properties

Molecular formula
C21H15N3O6
Molar mass
405.37 g/mol
Exact mass
405.0961 Da
Melting point
below 300 °C
logP
3.11Crippen estimate
Polar surface area
160.1 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
3

Identifiers

CAS number
2125-23-7
SMILES
Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1
InChIKey
SGZWJGRZDJCDIM-UHFFFAOYSA-N
InChI
InChI=1S/C21H15N3O6/c25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30/h1-9,25-30H

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Benzenediol, 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tris-
  • Resorcinol, 4,4′,4′′-s-triazine-2,4,6-triyltri-
  • 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[1,3-benzenediol]
  • 2,4,6-Tris(2,4-Dihydroxyphenyl)-s-triazine
  • 2,4,6-Tris[2,4-dihydroxyphenyl]-1,3,5-triazine
  • 2,4,6-Tri(2,4-dihydroxyphenyl)-1,3,5-triazine

Work with Tris(2,4-dihydroxyphenyl)-1,3,5-triazine

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

2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine1668-53-766 % similar Hydroxyquinol533-73-354 % similar 4-Isopropylresorcinol23504-03-247 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-346 % similar 4-Methylresorcinol496-73-146 % similar 4-Chlororesorcinol95-88-546 % similar 4,4′-Thiobis[1,3-benzenediol]97-29-046 % similar 4-Ethylresorcinol2896-60-843 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook