chempirical

3,3''-Dibromo-1,1':3',1''-terphenyl

C18H12Br2CAS 95962-62-2388.10 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C18H12Br2
Molar mass
388.10 g/mol
Exact mass
385.9306 Da
logP
6.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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
95962-62-2
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
InChIKey
FGKHIPSLESGJNR-UHFFFAOYSA-N
InChI
InChI=1S/C18H12Br2/c19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16/h1-12H

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Work with 3,3''-Dibromo-1,1':3',1''-terphenyl

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

1,3,5-Tris(3-bromophenyl)benzene96761-85-294 % similar 3-Bromobiphenyl2113-57-780 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-476 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-470 % similar 1,3-Dibromobenzene108-36-167 % similar 3-Bromo-4'-chloro-1,1'-biphenyl164334-69-467 % similar 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-465 % similar 2-(3-Bromophenyl)triphenylene1313514-53-264 % similar

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

Same formula

4,4''-Dibromo-P-terphenyl17788-94-2

Elsewhere

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