chempirical

2-Chloro-4-(dibenzo[B,D]furan-3-yl)-6-phenyl-1,3,5-triazine

C21H12ClN3OCAS 2142681-84-1357.80 g/mol

Open in Covalent MOL file
NNNClO
Aryl halide

Properties

Molecular formula
C21H12ClN3O
Molar mass
357.80 g/mol
Exact mass
357.0669 Da
logP
5.76Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
2142681-84-1
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)C5=CC=CC=C5O4
InChIKey
MPIJGSAWPMMKMU-UHFFFAOYSA-N
InChI
InChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-12H

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Work with 2-Chloro-4-(dibenzo[B,D]furan-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]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-457 % similar 2,4-Bis([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine182918-13-457 % similar 2-Chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine1689576-03-157 % similar 2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine1342819-12-856 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-556 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-054 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-653 % similar 2-Chloro-4-(4-(naphthalen-1-yl)phenyl)-6-phenyl-1,3,5-triazine2229752-36-552 % similar

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

Same formula

1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-1883265-32-4

Elsewhere

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