4-(3-Bromophenyl)dibenzo[b,d]thiophene

C₁₈H₁₁BrSCAS 1084334-28-0339.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₁BrS
Molar mass: 339.25 g/mol
Exact mass: 337.9765 Da
logP: 6.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

1084334-28-0

SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC(=CC=C4)Br

InChIKey

JVHWZEWMZMHZFN-UHFFFAOYSA-N

InChI

InChI=1S/C18H11BrS/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Dibenzothiophene, 4-(3-bromophenyl)-

Work with 4-(3-Bromophenyl)dibenzo[b,d]thiophene

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-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-160 % similar 4-Bromodibenzothiophene97511-05-254 % similar 2-Bromodibenzothiophene22439-61-851 % similar 3-Bromodibenzo(b,d)thiophene97511-04-151 % similar 4-(3-Bromo-phenyl)-dibenzofuran887944-90-349 % similar 2-(3-Bromophenyl)triphenylene1313514-53-247 % similar 2-(3-Bromophenyl)benzo[D]thiazole19654-14-947 % similar 3-Bromobiphenyl2113-57-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Bromophenyl)dibenzothiophene530402-77-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook