[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane

C25H21NO2SSi — CID 140720125

IUPAC[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2-3)nc1
InChIInChI=1S/C25H21NO2SSi/c1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18/h3-17H,1-2H3
InChIKeyCNDWWSLVEVSAJM-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.38
Rot. Bonds3

About [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane

[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane (PubChem CID 140720125) has the molecular formula C25H21NO2SSi and a molecular weight of 427.60 g/mol. Its IUPAC name is [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
PubChem CID140720125
Molecular FormulaC25H21NO2SSi
Molecular Weight427.60 g/mol
Exact Mass427.11
IUPAC Name[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2-3)nc1
InChIInChI=1S/C25H21NO2SSi/c1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18/h3-17H,1-2H3
InChIKeyCNDWWSLVEVSAJM-UHFFFAOYSA-N
XLogP4.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-phenyl-(6-phenyl-3-pyridinyl)silane
CID 132565946
2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 163613885
[2-(5,5-dioxodibenzothiophen-2-yl)-4-pyridinyl]-trimethylsilane
CID 140719581
4-(2,6-diphenylpyrimidin-4-yl)-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572058
dimethyl-phenyl-[6-(2,3,4,5-tetradeuteriophenyl)-3-pyridinyl]silane
CID 140737904
3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754949
dimethyl-[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-6-yl)-3-pyridinyl]-phenylsilane
CID 140720059
3-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754964
triphenyl-[6-[4-(5-triphenylsilyl-2-pyridinyl)phenyl]-3-pyridinyl]silane
CID 177296299
3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131802
3-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131653
[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140719829

Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The IUPAC name of [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane (CID 140720125) is [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane.
What is the SMILES notation for [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The canonical SMILES for [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)c1ccc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2-3)nc1.
What is the InChIKey of [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The InChIKey is CNDWWSLVEVSAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2SSi/c1-30(2,19-8-4-3-5-9-19)20-13-15-23(26-17-20)18-12-14-22-21-10-6-7-11-24(21)29(27,28)25(22)16-18/h3-17H,1-2H3.
What are the key properties of [6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane?
[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane has a molecular weight of 427.60 g/mol, XLogP of 4.38, 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-3-yl)-3-pyridinyl]-dimethyl-phenylsilane is sourced from PubChem (CID 140720125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).