trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane

C22H24NSSi+ — CID 167365003

IUPACtrimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane
SMILESCc1ccc2c(sc3ccccc32)c1-c1ccc([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C22H24NSSi/c1-15-10-12-18-17-8-6-7-9-20(17)24-22(18)21(15)19-13-11-16(14-23(19)2)25(3,4)5/h6-14H,1-5H3/q+1
InChIKeyWYOAJKILXKDSGD-UHFFFAOYSA-N
MW362.59 g/mol
LogP5.40
Rot. Bonds2

About trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane

trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane (PubChem CID 167365003) has the molecular formula C22H24NSSi+ and a molecular weight of 362.59 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane
PubChem CID167365003
Molecular FormulaC22H24NSSi+
Molecular Weight362.59 g/mol
Exact Mass362.14
IUPAC Nametrimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane
SMILESCc1ccc2c(sc3ccccc32)c1-c1ccc([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C22H24NSSi/c1-15-10-12-18-17-8-6-7-9-20(17)24-22(18)21(15)19-13-11-16(14-23(19)2)25(3,4)5/h6-14H,1-5H3/q+1
InChIKeyWYOAJKILXKDSGD-UHFFFAOYSA-N
XLogP5.40
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-(7-methyl-[1]benzothiolo[3,2-b][1]benzofuran-6-yl)pyrimidin-1-ium
CID 140827664
2-(7-isocyano-3-methyldibenzothiophen-4-yl)-1-methylpyridin-1-ium
CID 154616196
7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170251973
7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-2-carbonitrile
CID 170251986
trimethyl-[1-methyl-6-(3-methyldibenzofuran-2-yl)pyridin-1-ium-3-yl]silane
CID 167365206
2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170252001
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine
CID 159407466
2-(3-methoxydibenzothiophen-4-yl)-1,6-dimethylpyridin-1-ium
CID 170175840
2-(8-fluoro-7-isocyano-3-methyldibenzothiophen-4-yl)-1-methylpyridin-1-ium
CID 154615226
2-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170252016
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131
trimethyl-[4-(2-methyldibenzothiophen-4-yl)quinazolin-7-yl]silane
CID 157228108

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane?
The IUPAC name of trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane (CID 167365003) is trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane is Cc1ccc2c(sc3ccccc32)c1-c1ccc([Si](C)(C)C)c[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane?
The InChIKey is WYOAJKILXKDSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NSSi/c1-15-10-12-18-17-8-6-7-9-20(17)24-22(18)21(15)19-13-11-16(14-23(19)2)25(3,4)5/h6-14H,1-5H3/q+1.
What are the key properties of trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane?
trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane has a molecular weight of 362.59 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane is sourced from PubChem (CID 167365003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).