chempirical

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

C21H14BrN3CAS 864377-31-1388.27 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
864377-31-1
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
InChIKey
HNZUKQQNZRMNGS-UHFFFAOYSA-N
InChI
InChI=1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H

Weigh it out

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Work with 2-(3-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-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-492 % similar 4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-676 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-574 % similar 2-(3-Bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine1073062-42-666 % similar 3-Bromobiphenyl2113-57-765 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-463 % similar 4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine607740-08-961 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-658 % similar

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

Same formula

2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-3 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-9

Elsewhere

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