trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane

C22H24NOSi+ — CID 167358131

IUPACtrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
SMILESCc1ccc2c(oc3cc([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C22H24NOSi/c1-15-9-11-18-17-12-10-16(25(3,4)5)14-20(17)24-22(18)21(15)19-8-6-7-13-23(19)2/h6-14H,1-5H3/q+1
InChIKeyPKGOTUAKPFXCIE-UHFFFAOYSA-N
MW346.53 g/mol
LogP4.93
Rot. Bonds2

About trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane

trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane (PubChem CID 167358131) has the molecular formula C22H24NOSi+ and a molecular weight of 346.53 g/mol. Its IUPAC name is trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
PubChem CID167358131
Molecular FormulaC22H24NOSi+
Molecular Weight346.53 g/mol
Exact Mass346.16
IUPAC Nametrimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
SMILESCc1ccc2c(oc3cc([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C22H24NOSi/c1-15-9-11-18-17-12-10-16(25(3,4)5)14-20(17)24-22(18)21(15)19-8-6-7-13-23(19)2/h6-14H,1-5H3/q+1
InChIKeyPKGOTUAKPFXCIE-UHFFFAOYSA-N
XLogP4.93
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 54.93
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

7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-(4-trimethylsilylphenyl)dibenzofuran-2-carbonitrile
CID 174133821
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
1-methyl-2-[3-methyl-7-(5-methylbenzo[b][1]benzogermol-5-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 169077096
2-[6-deuterio-3-methyl-7-(4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357869
2-(6-dibenzofuran-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849736
1-methyl-2-[3-methyl-7-(1,1,3,3-tetramethyl-2H-inden-5-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 167357324
9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
CID 140828029
1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)pyridin-1-ium
CID 155648941
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 176787702
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
2-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 123627897
20-methyl-21-(1-methylpyridin-1-ium-2-yl)-23-oxa-25-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 171051736

Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane?
The IUPAC name of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane (CID 167358131) is trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane.
What is the SMILES notation for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane?
The canonical SMILES for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane is Cc1ccc2c(oc3cc([Si](C)(C)C)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane?
The InChIKey is PKGOTUAKPFXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NOSi/c1-15-9-11-18-17-12-10-16(25(3,4)5)14-20(17)24-22(18)21(15)19-8-6-7-13-23(19)2/h6-14H,1-5H3/q+1.
What are the key properties of trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane?
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane has a molecular weight of 346.53 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane is sourced from PubChem (CID 167358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).