2-Chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine

C21H14ClN3CAS 1689576-03-1343.81 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C21H14ClN3
Molar mass
343.81 g/mol
Exact mass
343.0876 Da
logP
5.53Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1689576-03-1
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl
InChIKey
BYPCJJONRMPERB-UHFFFAOYSA-N
InChI
InChI=1S/C21H14ClN3/c22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15/h1-14H

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Names and synonyms

1 names
  • 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine

Work with 2-Chloro-4-(biphenyl-3-yl)-6-phenyl-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-([1,1'-Biphenyl]-3-yl)-4,6-dichloro-1,3,5-triazine1402225-89-188 % similar 2,4-Bis([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine182918-13-480 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-579 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-673 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-072 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-372 % similar 2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine1342819-12-870 % similar 2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine1443049-83-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-4

Elsewhere

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