chempirical

2,4,6-Tribiphenyl-4-yl-1,3,5-triazine

C39H27N3CAS 31274-51-8537.67 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C39H27N3
Molar mass
537.67 g/mol
Exact mass
537.2205 Da
Melting point
283 °C
logP
9.87Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
31274-51-8
SMILES
c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIKey
CENPSTJGQOQKKW-UHFFFAOYSA-N
InChI
InChI=1S/C39H27N3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H

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Names and synonyms

7 names
  • 1,3,5-Triazine, 2,4,6-tris([1,1′-biphenyl]-4-yl)-
  • s-Triazine, 2,4,6-tri-4-biphenylyl-
  • 2,4,6-Tris([1,1′-biphenyl]-4-yl)-1,3,5-triazine
  • 2,4,6-Tris(p-biphenylyl)-s-triazine
  • Tinosorb A 2B
  • 2,4,6-Tris(4-phenylphenyl)-1,3,5-triazine
  • 2,4,6-Tri(1,1′-biphenyl-4-yl)-1,3,5-triazine

Work with 2,4,6-Tribiphenyl-4-yl-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

2,4,6-Triphenyl-1,3,5-triazine493-77-688 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-668 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-567 % similar Para-quaterphenyl135-70-663 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-663 % similar Terphenyl92-94-463 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-359 % similar Biphenyl92-52-456 % similar

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

Same formula

1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-0

Elsewhere

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