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

C19H12ClN3CAS 1342819-12-8317.78 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C19H12ClN3
Molar mass
317.78 g/mol
Exact mass
317.0720 Da
logP
5.01Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
1342819-12-8
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=CC=CC=C4C=C3
InChIKey
KTTRHLOWOKRRKS-UHFFFAOYSA-N
InChI
InChI=1S/C19H12ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H

Weigh it out

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Names and synonyms

1 names
  • 2-Chloro-4-(naphthyl-2-yl)-6-phenyl-1,3,5-triazine

Work with 2-Chloro-4-(naphthalen-2-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]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-471 % similar 2,4-Bis([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine182918-13-471 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-570 % similar 2-Chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine1689576-03-170 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-066 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-666 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-364 % similar 2-Chloro-4-(4-(naphthalen-1-yl)phenyl)-6-phenyl-1,3,5-triazine2229752-36-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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