1,3,5-Tris(4-pyridyl)benzene

C₂₁H₁₅N₃CAS 170165-84-1309.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₁₅N₃
Molar mass: 309.37 g/mol
Exact mass: 309.1266 Da
logP: 4.87Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

170165-84-1

SMILES

C1=CN=CC=C1C2=CC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4

InChIKey

ZMQLKBAJUGKDDO-UHFFFAOYSA-N

InChI

InChI=1S/C21H15N3/c1-7-22-8-2-16(1)19-13-20(17-3-9-23-10-4-17)15-21(14-19)18-5-11-24-12-6-18/h1-15H

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Names and synonyms

1 names

4,4',4''-(Benzene-1,3,5-triyl)tripyridine

Work with 1,3,5-Tris(4-pyridyl)benzene

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

4,4′-Bipyridine553-26-479 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-773 % similar 4-Phenylpyridine939-23-161 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-853 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-153 % similar 4-(4-Bromophenyl)pyridine39795-60-352 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-648 % similar 4,4'-(Anthracene-9,10-diyl)dipyridine194861-72-845 % similar

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

Same formula

2,4,6-Triphenyl-1,3,5-triazine493-77-6

Elsewhere

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