chempirical

Hexapentaene, 1,6-bis(O-bromophenyl)-1,6-diphenyl-

C30H18Br2CAS 13632-32-1538.28 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C30H18Br2
Molar mass
538.28 g/mol
Exact mass
535.9775 Da
logP
8.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
13632-32-1
SMILES
Brc1ccccc1C(=C=C=C=C=C(c1ccccc1)c1ccccc1Br)c1ccccc1
InChIKey
AOWBZDXHOUQVFB-UHFFFAOYSA-N
InChI
InChI=1S/C30H18Br2/c31-29-21-11-9-19-27(29)25(23-13-3-1-4-14-23)17-7-8-18-26(24-15-5-2-6-16-24)28-20-10-12-22-30(28)32/h1-6,9-16,19-22H

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Work with Hexapentaene, 1,6-bis(O-bromophenyl)-1,6-diphenyl-

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

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

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