1,3,5-Tris(4-bromophenyl)benzene

C₂₄H₁₅Br₃CAS 7511-49-1543.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₁₅Br₃
Molar mass: 543.10 g/mol
Exact mass: 539.8724 Da
logP: 8.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H318 Causes serious eye damage100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

7511-49-1

SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br

InChIKey

HJQRITCAXSBOPC-UHFFFAOYSA-N

InChI

InChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H

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Names and synonyms

1 names

1,3,5-Tri(4-bromophenyl)benzene

Work with 1,3,5-Tris(4-bromophenyl)benzene

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

4,4''-Dibromo-P-terphenyl17788-94-280 % similar 4,4′-Dibromobiphenyl92-86-480 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-779 % similar 4-Bromo-M-terphenyl54590-37-367 % similar 4-Bromo-P-terphenyl1762-84-163 % similar 4-Bromobiphenyl92-66-063 % similar 1,4-Dibromobenzene106-37-660 % similar 4-Bromo-4'-hydroxybiphenyl29558-77-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,5-Tris(3-bromophenyl)benzene96761-85-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook