chempirical

4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]

C24H15N3O3CAS 443922-06-3393.40 g/mol

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Aldehyde

Properties

Molecular formula
C24H15N3O3
Molar mass
393.40 g/mol
Exact mass
393.1113 Da
Melting point
above 300 °C
logP
4.31Crippen estimate
Polar surface area
89.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Identifiers

CAS number
443922-06-3
SMILES
O=Cc1ccc(-c2nc(-c3ccc(C=O)cc3)nc(-c3ccc(C=O)cc3)n2)cc1
InChIKey
RXFWPOMAJBVGRU-UHFFFAOYSA-N
InChI
InChI=1S/C24H15N3O3/c28-13-16-1-7-19(8-2-16)22-25-23(20-9-3-17(14-29)4-10-20)27-24(26-22)21-11-5-18(15-30)6-12-21/h1-15H

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Names and synonyms

2 names
  • Benzaldehyde, 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tris-
  • 1,3,5-Tris(4-formylphenyl)triazine

Work with 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]

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

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-867 % similar 1,4-Benzenedicarboxaldehyde623-27-860 % similar 2,9-Bis[P-(formyl)phenyl]-1,10-phenanthroline120085-99-659 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-258 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-856 % similar 4-(2-Pyridinyl)benzaldehyde127406-56-853 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-748 % similar Pyridine-4-carbaldehyde872-85-548 % similar

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

Elsewhere

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