1,3,5-Tri(M-pyrid-3-ylphenyl)benzene

C₃₉H₂₇N₃CAS 921205-03-0537.67 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₉H₂₇N₃
Molar mass: 537.67 g/mol
Exact mass: 537.2205 Da
Melting point: 181 °C
logP: 9.87Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

921205-03-0

SMILES

c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1

InChIKey

CINYXYWQPZSTOT-UHFFFAOYSA-N

InChI

InChI=1S/C39H27N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-27H

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Names and synonyms

9 names

Pyridine, 3,3′-[5′-[3-(3-pyridinyl)phenyl][1,1′:3′,1′′-terphenyl]-3,3′′-diyl]bis-
3,3′-[5′-[3-(3-Pyridinyl)phenyl][1,1′:3′,1′′-terphenyl]-3,3′′-diyl]bis[pyridine]
1,3,5-Tri(m-pyridin-3-ylphenyl)benzenee
1,3,5-Tris(3-pyridyl-3-phenyl)benzene
TmPyPB
Tm3PyPB
1,3,5-Tri(m-pyridin-3-ylphenyl)benzene
1,3,5-Tris(m-pyridin-3-ylphenyl)benzene
3,3′′-Bis-(3-pyridinyl)-5′-(3-(3-pyridinyl)phenyl)-1,1′:3′,1′′-Terphenyl

Work with 1,3,5-Tri(M-pyrid-3-ylphenyl)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

3-Phenylpyridine1008-88-465 % similar 3-(3-Pyridyl)benzaldehyde131231-24-860 % similar 3-(4-Bromophenyl)pyridine129013-83-854 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-748 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-148 % similar 2,3′-Bipyridine581-50-048 % similar 3-(1H-Imidazol-5-yl)pyridine51746-85-147 % similar 3-Chloropyridine626-60-846 % similar

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

Same formula

2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-8

Elsewhere

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