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

C21H14BrN3CAS 23449-08-3388.27 g/mol

Open in Covalent MOL file
NNNBr
Aryl halide

Properties

Molecular formula
C21H14BrN3
Molar mass
388.27 g/mol
Exact mass
387.0371 Da
logP
5.64Crippen 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
23449-08-3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChIKey
AYHGAQGOMUQMTR-UHFFFAOYSA-N
InChI
InChI=1S/C21H14BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H

Weigh it out

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

Work with 2-(4-Bromophenyl)-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

2,4,6-Tris(4-bromophenyl)-1,3,5-triazine30363-03-281 % similar 4-(4-Bromophenyl)-2,6-diphenylpyrimidine58536-46-277 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-569 % similar 4-Bromo-P-terphenyl1762-84-168 % similar Tris-biphenyl triazine31274-51-868 % similar 4-Bromobiphenyl92-66-068 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-667 % similar 2-(4-Bromophenyl)-4-phenylquinazoline540466-42-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-1 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-9

Elsewhere

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