3-bromo-7-(4-iodophenyl)dibenzothiophene

C18H10BrIS — CID 146300895

IUPAC3-bromo-7-(4-iodophenyl)dibenzothiophene
SMILESBrc1ccc2c(c1)sc1cc(-c3ccc(I)cc3)ccc12
InChIInChI=1S/C18H10BrIS/c19-13-4-8-16-15-7-3-12(9-17(15)21-18(16)10-13)11-1-5-14(20)6-2-11/h1-10H
InChIKeyHMOFETOOBZLPFM-UHFFFAOYSA-N
MW465.15 g/mol
LogP7.09
Rot. Bonds1

About 3-bromo-7-(4-iodophenyl)dibenzothiophene

3-bromo-7-(4-iodophenyl)dibenzothiophene (PubChem CID 146300895) has the molecular formula C18H10BrIS and a molecular weight of 465.15 g/mol. Its IUPAC name is 3-bromo-7-(4-iodophenyl)dibenzothiophene.

Molecular Properties

Compound Name3-bromo-7-(4-iodophenyl)dibenzothiophene
PubChem CID146300895
Molecular FormulaC18H10BrIS
Molecular Weight465.15 g/mol
Exact Mass463.87
IUPAC Name3-bromo-7-(4-iodophenyl)dibenzothiophene
SMILESBrc1ccc2c(c1)sc1cc(-c3ccc(I)cc3)ccc12
InChIInChI=1S/C18H10BrIS/c19-13-4-8-16-15-7-3-12(9-17(15)21-18(16)10-13)11-1-5-14(20)6-2-11/h1-10H
InChIKeyHMOFETOOBZLPFM-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.15
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-iodophenyl)dibenzothiophene?
The IUPAC name of 3-bromo-7-(4-iodophenyl)dibenzothiophene (CID 146300895) is 3-bromo-7-(4-iodophenyl)dibenzothiophene.
What is the SMILES notation for 3-bromo-7-(4-iodophenyl)dibenzothiophene?
The canonical SMILES for 3-bromo-7-(4-iodophenyl)dibenzothiophene is Brc1ccc2c(c1)sc1cc(-c3ccc(I)cc3)ccc12.
What is the InChIKey of 3-bromo-7-(4-iodophenyl)dibenzothiophene?
The InChIKey is HMOFETOOBZLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrIS/c19-13-4-8-16-15-7-3-12(9-17(15)21-18(16)10-13)11-1-5-14(20)6-2-11/h1-10H.
What are the key properties of 3-bromo-7-(4-iodophenyl)dibenzothiophene?
3-bromo-7-(4-iodophenyl)dibenzothiophene has a molecular weight of 465.15 g/mol, XLogP of 7.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-iodophenyl)dibenzothiophene is sourced from PubChem (CID 146300895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).