[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane

C27H38NSi2+ — CID 163850942

IUPAC[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(-c2cc(-c3cc(C)c([Si](C)(C)C)c[n+]3C)c(C)cc2[Si](C)(C)C)cc1
InChIInChI=1S/C27H38NSi2/c1-19-11-13-22(14-12-19)24-17-23(20(2)16-26(24)29(5,6)7)25-15-21(3)27(18-28(25)4)30(8,9)10/h11-18H,1-10H3/q+1
InChIKeyAGXPRVGPIWTOHV-UHFFFAOYSA-N
MW432.78 g/mol
LogP5.86
Rot. Bonds4

About [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane

[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 163850942) has the molecular formula C27H38NSi2+ and a molecular weight of 432.78 g/mol. Its IUPAC name is [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID163850942
Molecular FormulaC27H38NSi2+
Molecular Weight432.78 g/mol
Exact Mass432.25
IUPAC Name[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILESCc1ccc(-c2cc(-c3cc(C)c([Si](C)(C)C)c[n+]3C)c(C)cc2[Si](C)(C)C)cc1
InChIInChI=1S/C27H38NSi2/c1-19-11-13-22(14-12-19)24-17-23(20(2)16-26(24)29(5,6)7)25-15-21(3)27(18-28(25)4)30(8,9)10/h11-18H,1-10H3/q+1
InChIKeyAGXPRVGPIWTOHV-UHFFFAOYSA-N
XLogP5.86
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
[6-(4-tert-butyl-5-fluoro-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]-trimethylsilane
CID 171724066
[1,4-dimethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 171724044
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium
CID 140920741
[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
CID 160741756
[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 157377199
5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 163527251
[6-[4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-2-methyl-5-(trideuteriomethyl)phenyl]-1-methyl-4-(trideuteriomethyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 169076413
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
4-[4-methyl-5-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-(trideuteriomethyl)phenyl]benzonitrile
CID 166043921
2-(2,4-dimethyl-5-phenylphenyl)-1,4,5-trimethylpyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 160952437

Frequently Asked Questions

What is the IUPAC name of [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane (CID 163850942) is [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane is Cc1ccc(-c2cc(-c3cc(C)c([Si](C)(C)C)c[n+]3C)c(C)cc2[Si](C)(C)C)cc1.
What is the InChIKey of [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is AGXPRVGPIWTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38NSi2/c1-19-11-13-22(14-12-19)24-17-23(20(2)16-26(24)29(5,6)7)25-15-21(3)27(18-28(25)4)30(8,9)10/h11-18H,1-10H3/q+1.
What are the key properties of [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane?
[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 432.78 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 163850942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).