2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine

C21H13BrClN3CAS 1073062-42-6422.71 g/mol

Open in Covalent MOL file
NNNBrCl
Aryl halide

Properties

Molecular formula
C21H13BrClN3
Molar mass
422.71 g/mol
Exact mass
420.9981 Da
logP
6.29Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number
1073062-42-6
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Cl)C4=CC=CC=C4
InChIKey
BLKKWMCDZNDYEQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H13BrClN3/c22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13H

Weigh it out

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

Work with 2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-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-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-573 % similar 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-166 % similar 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-462 % similar 2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine1443049-83-959 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-057 % similar 4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine607740-08-957 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-356 % similar 4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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