5-bromo-2,3-diphenyl-1-benzothiophene

C20H13BrS — CID 13027064

IUPAC5-bromo-2,3-diphenyl-1-benzothiophene
SMILESBrc1ccc2sc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrS/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H
InChIKeyHEBUZXKPBSRABV-UHFFFAOYSA-N
MW365.30 g/mol
LogP7.00
Rot. Bonds2

About 5-bromo-2,3-diphenyl-1-benzothiophene

5-bromo-2,3-diphenyl-1-benzothiophene (PubChem CID 13027064) has the molecular formula C20H13BrS and a molecular weight of 365.30 g/mol. Its IUPAC name is 5-bromo-2,3-diphenyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-2,3-diphenyl-1-benzothiophene
PubChem CID13027064
Molecular FormulaC20H13BrS
Molecular Weight365.30 g/mol
Exact Mass363.99
IUPAC Name5-bromo-2,3-diphenyl-1-benzothiophene
SMILESBrc1ccc2sc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrS/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H
InChIKeyHEBUZXKPBSRABV-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-diphenyl-1-benzothiophene?
The IUPAC name of 5-bromo-2,3-diphenyl-1-benzothiophene (CID 13027064) is 5-bromo-2,3-diphenyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-2,3-diphenyl-1-benzothiophene?
The canonical SMILES for 5-bromo-2,3-diphenyl-1-benzothiophene is Brc1ccc2sc(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-2,3-diphenyl-1-benzothiophene?
The InChIKey is HEBUZXKPBSRABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrS/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 5-bromo-2,3-diphenyl-1-benzothiophene?
5-bromo-2,3-diphenyl-1-benzothiophene has a molecular weight of 365.30 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-diphenyl-1-benzothiophene is sourced from PubChem (CID 13027064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).