[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane

C22H23NO2SSi — CID 140720127

IUPAC[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane
SMILESCCc1cc(-c2cccc3c2S(=O)(=O)c2ccccc2-3)ncc1[Si](C)(C)C
InChIInChI=1S/C22H23NO2SSi/c1-5-15-13-19(23-14-21(15)27(2,3)4)18-11-8-10-17-16-9-6-7-12-20(16)26(24,25)22(17)18/h6-14H,5H2,1-4H3
InChIKeyNLQKRXZIFJOCDS-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.67
Rot. Bonds3

About [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane

[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane (PubChem CID 140720127) has the molecular formula C22H23NO2SSi and a molecular weight of 393.58 g/mol. Its IUPAC name is [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane
PubChem CID140720127
Molecular FormulaC22H23NO2SSi
Molecular Weight393.58 g/mol
Exact Mass393.12
IUPAC Name[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane
SMILESCCc1cc(-c2cccc3c2S(=O)(=O)c2ccccc2-3)ncc1[Si](C)(C)C
InChIInChI=1S/C22H23NO2SSi/c1-5-15-13-19(23-14-21(15)27(2,3)4)18-11-8-10-17-16-9-6-7-12-20(16)26(24,25)22(17)18/h6-14H,5H2,1-4H3
InChIKeyNLQKRXZIFJOCDS-UHFFFAOYSA-N
XLogP4.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane (CID 140720127) is [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane is CCc1cc(-c2cccc3c2S(=O)(=O)c2ccccc2-3)ncc1[Si](C)(C)C.
What is the InChIKey of [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane?
The InChIKey is NLQKRXZIFJOCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2SSi/c1-5-15-13-19(23-14-21(15)27(2,3)4)18-11-8-10-17-16-9-6-7-12-20(16)26(24,25)22(17)18/h6-14H,5H2,1-4H3.
What are the key properties of [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane?
[6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane has a molecular weight of 393.58 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,5-dioxodibenzothiophen-4-yl)-4-ethyl-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140720127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).