4-(4-Bromophenyl)dibenzothiophene

C₁₈H₁₁BrSCAS 530402-77-8339.25 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

530402-77-8

SMILES

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

InChIKey

FIAXBPCUAUSGJH-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

4-(4-Bromo-phenyl)-dibenzothiophene

Work with 4-(4-Bromophenyl)dibenzothiophene

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-Bromodibenzothiophene97511-05-263 % similar 1-(4-Bromophenyl)naphthalene204530-94-954 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-151 % similar 2-Bromodibenzothiophene22439-61-850 % similar 4-Iododibenzothiophene132034-89-046 % similar 9-(4-Bromophenyl)-10-(naphthalen-1-yl)anthracene1160506-32-045 % similar 9-(4-Bromophenyl)phenanthrene853945-49-045 % similar 4-Dibenzothiopheneboronic acid108847-20-743 % similar

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

Same formula

4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-0

Elsewhere

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