4-(4-Bromophenyl)-2,6-diphenylpyrimidine

C22H15BrN2CAS 58536-46-2387.28 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C22H15BrN2
Molar mass
387.28 g/mol
Exact mass
386.0419 Da
logP
6.24Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
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, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
58536-46-2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChIKey
GHDBFGUOBVYEOV-UHFFFAOYSA-N
InChI
InChI=1S/C22H15BrN2/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18/h1-15H

Weigh it out

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

Work with 4-(4-Bromophenyl)-2,6-diphenylpyrimidine

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-triazine23449-08-377 % similar 4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine607740-08-976 % similar 4-Bromo-2,6-diphenylpyrimidine40734-24-563 % similar 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine30363-03-262 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-560 % similar 2-Bromo-4,6-diphenylpyrimidine56181-49-859 % similar 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-158 % similar 4-Bromo-P-terphenyl1762-84-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-6

Elsewhere

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