bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium

C24H15F2OS2+ — CID 166590215

IUPACbis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium
SMILESO=S1c2ccccc2-c2cccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)c21
InChIInChI=1S/C24H15F2OS2/c25-16-8-12-18(13-9-16)28(19-14-10-17(26)11-15-19)23-7-3-5-21-20-4-1-2-6-22(20)29(27)24(21)23/h1-15H/q+1
InChIKeyIQYMEVVQHNDIHI-UHFFFAOYSA-N
MW421.51 g/mol
LogP6.21
Rot. Bonds3

About bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium

bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium (PubChem CID 166590215) has the molecular formula C24H15F2OS2+ and a molecular weight of 421.51 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium
PubChem CID166590215
Molecular FormulaC24H15F2OS2+
Molecular Weight421.51 g/mol
Exact Mass421.05
IUPAC Namebis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium
SMILESO=S1c2ccccc2-c2cccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)c21
InChIInChI=1S/C24H15F2OS2/c25-16-8-12-18(13-9-16)28(19-14-10-17(26)11-15-19)23-7-3-5-21-20-4-1-2-6-22(20)29(27)24(21)23/h1-15H/q+1
InChIKeyIQYMEVVQHNDIHI-UHFFFAOYSA-N
XLogP6.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium (CID 166590215) is bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium is O=S1c2ccccc2-c2cccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)c21.
What is the InChIKey of bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium?
The InChIKey is IQYMEVVQHNDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2OS2/c25-16-8-12-18(13-9-16)28(19-14-10-17(26)11-15-19)23-7-3-5-21-20-4-1-2-6-22(20)29(27)24(21)23/h1-15H/q+1.
What are the key properties of bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium?
bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium has a molecular weight of 421.51 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(5-oxodibenzothiophen-4-yl)sulfanium is sourced from PubChem (CID 166590215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).