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

C24H30NSi+ — CID 163545923

IUPAC[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Si](C)(C)C)c[n+]2C)cc1-c1ccccc1
InChIInChI=1S/C24H30NSi/c1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)23-14-19(3)24(16-25(23)4)26(5,6)7/h8-16H,1-7H3/q+1/i1D3
InChIKeyZTPYIWCPTXNKMN-FIBGUPNXSA-N
MW363.62 g/mol
LogP5.32
Rot. Bonds4

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

[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (PubChem CID 163545923) has the molecular formula C24H30NSi+ and a molecular weight of 363.62 g/mol. Its IUPAC name is [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
PubChem CID163545923
Molecular FormulaC24H30NSi+
Molecular Weight363.62 g/mol
Exact Mass363.23
IUPAC Name[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Si](C)(C)C)c[n+]2C)cc1-c1ccccc1
InChIInChI=1S/C24H30NSi/c1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)23-14-19(3)24(16-25(23)4)26(5,6)7/h8-16H,1-7H3/q+1/i1D3
InChIKeyZTPYIWCPTXNKMN-FIBGUPNXSA-N
XLogP5.32
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.62
LogP ≤ 55.32
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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Related Compounds

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
[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163850942
4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140920631
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920657
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-propan-2-ylsulfanylpyridin-1-ium
CID 177095977
2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 140920618
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-(1,4,4-trimethylcyclohexyl)pyridin-1-ium
CID 176865281
2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium
CID 153461079
4-tert-butyl-2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethylpyridin-1-ium
CID 155629307
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920752
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyrimidin-1-ium
CID 176617876

Frequently Asked Questions

What is the IUPAC name of [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The IUPAC name of [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane (CID 163545923) is [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The canonical SMILES for [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is [2H]C([2H])([2H])c1cc(C)c(-c2cc(C)c([Si](C)(C)C)c[n+]2C)cc1-c1ccccc1.
What is the InChIKey of [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
The InChIKey is ZTPYIWCPTXNKMN-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H30NSi/c1-17-13-18(2)22(15-21(17)20-11-9-8-10-12-20)23-14-19(3)24(16-25(23)4)26(5,6)7/h8-16H,1-7H3/q+1/i1D3.
What are the key properties of [1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane?
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane has a molecular weight of 363.62 g/mol, XLogP of 5.32, 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-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 163545923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).