chempirical

2-(3-Bromophenyl)triphenylene

C24H15BrCAS 1313514-53-2383.29 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C24H15Br
Molar mass
383.29 g/mol
Exact mass
382.0357 Da
logP
7.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1313514-53-2
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25
InChIKey
KWXFBIBEVROWEF-UHFFFAOYSA-N
InChI
InChI=1S/C24H15Br/c25-18-7-5-6-16(14-18)17-12-13-23-21-10-2-1-8-19(21)20-9-3-4-11-22(20)24(23)15-17/h1-15H

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Work with 2-(3-Bromophenyl)triphenylene

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

3-Bromobiphenyl2113-57-765 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-453 % similar 1,3-Dibromobenzene108-36-148 % similar 4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-047 % similar 2-(3-Bromophenyl)pyridine4373-60-847 % similar 9([1,1`-Biphenyl]-4-yl)-10-bromo-2-phenylanthracene1195975-03-146 % similar 1-Bromo-3,5-diphenylbenzene103068-20-845 % similar 3,5-Dibromobiphenyl16372-96-645 % similar

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

Elsewhere

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