2,3,6,7,12,13-Hexabromotriptycene

C₂₀H₈Br₆CAS 55805-81-7727.71 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₈Br₆
Molar mass: 727.71 g/mol
Exact mass: 721.5726 Da
logP: 9.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

55805-81-7

SMILES

C1=C2C3C4=CC(=C(C=C4C(C2=CC(=C1Br)Br)C5=CC(=C(C=C35)Br)Br)Br)Br

InChIKey

FXRWLRSFZAHEEL-UHFFFAOYSA-N

InChI

InChI=1S/C20H8Br6/c21-13-1-7-8(2-14(13)22)20-11-5-17(25)15(23)3-9(11)19(7)10-4-16(24)18(26)6-12(10)20/h1-6,19-20H

Weigh it out

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Names and synonyms

1 names

2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene

Work with 2,3,6,7,12,13-Hexabromotriptycene

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

1,2,4,5-Tetrabromobenzene636-28-253 % similar 2,3,6,7,10,11-Hexabromotriphenylene82632-80-247 % similar 4,5-Dibromo-O-xylene24932-48-740 % similar 4,5-Dibromo-1,2-phenylenediamine49764-63-840 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-940 % similar 2,3-Dibromonaphthalene13214-70-538 % similar 2,4,5-Tribromotoluene3278-88-436 % similar 1,2,4-Tribromobenzene615-54-336 % similar

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

Elsewhere

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