2,4,6-Tris(4-bromophenyl)-1,3,5-triazine

C21H12Br3N3CAS 30363-03-2546.06 g/mol

Open in Covalent MOL file
NNNBrBrBr
Aryl halide

Properties

Molecular formula
C21H12Br3N3
Molar mass
546.06 g/mol
Exact mass
542.8581 Da
logP
7.16Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
30363-03-2
SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
InChIKey
WZYVDGDZBNQVCF-UHFFFAOYSA-N
InChI
InChI=1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H

Weigh it out

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Work with 2,4,6-Tris(4-bromophenyl)-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-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-381 % similar 4-(4-Bromophenyl)-2,6-diphenylpyrimidine58536-46-262 % similar 4,4''-Dibromo-P-terphenyl17788-94-261 % similar 4,4′-Dibromobiphenyl92-86-461 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-554 % similar 1,4-Dibromobenzene106-37-653 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-152 % similar 4-(4-Bromophenyl)pyridine39795-60-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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