chempirical

4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine

C39H27N3CAS 921205-03-0537.67 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
181 °C
logP
9.87Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

10 names
  • 1,3,5-Tri(M-pyrid-3-ylphenyl)benzene
  • 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 4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine

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-(Pyridin-3-yl)phenyl)boronic acid351422-72-560 % similar 3-(Pyridin-3-yl)benzoic acid4385-77-755 % similar 3-(4-Bromophenyl)pyridine129013-83-854 % similar 4-(Pyridin-3-yl)aniline82261-42-554 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-748 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-148 % similar

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

Same formula

Tris-biphenyl triazine31274-51-8

Elsewhere

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