chempirical

4-(3-Bromophenyl)-2,6-diphenylpyrimidine

C22H15BrN2CAS 864377-28-6387.28 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

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

Identifiers

CAS number
864377-28-6
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Br
InChIKey
BPMSGKUGXMWVBH-UHFFFAOYSA-N
InChI
InChI=1S/C22H15BrN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H

Weigh it out

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

Work with 4-(3-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

4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine607740-08-977 % similar 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-176 % similar 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-471 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-561 % similar 4-Bromo-2,6-diphenylpyrimidine40734-24-559 % similar 3-Bromobiphenyl2113-57-759 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-457 % similar 2-(3-Bromophenyl)pyridine4373-60-856 % similar

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

Same formula

4-(4-Bromophenyl)-2,6-diphenylpyrimidine58536-46-2

Elsewhere

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