1-Bromo-3-(4-phenylphenyl)benzene

C18H13BrCAS 1762-87-4309.21 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C18H13Br
Molar mass
309.21 g/mol
Exact mass
308.0201 Da
logP
5.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1762-87-4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)Br
InChIKey
JJKJPQMYYSMPBE-UHFFFAOYSA-N
InChI
InChI=1S/C18H13Br/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H

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Names and synonyms

1 names
  • 3-Bromo-1,1':4',1''-terphenyl

Work with 1-Bromo-3-(4-phenylphenyl)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

3-Bromobiphenyl2113-57-795 % similar 3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-276 % similar 1,3,5-Tris(3-bromophenyl)benzene96761-85-273 % similar 3-Bromo-4'-chloro-1,1'-biphenyl164334-69-472 % similar 2-(3-Bromophenyl)triphenylene1313514-53-269 % similar 2-(3-Bromophenyl)naphthalene667940-23-069 % similar 3,5-Dibromobiphenyl16372-96-665 % similar 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3,5-diphenylbenzene103068-20-8 4-Bromo-P-terphenyl1762-84-1 2''-Bromo-[1,1';4',1'']terphenyl3282-24-4 4-Bromo-M-terphenyl54590-37-3

Elsewhere

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