trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane

C25H32NSi+ — CID 167365037

IUPACtrimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
SMILESCc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C25H32NSi/c1-18(2)20-12-14-21(15-13-20)23-16-24(22-11-9-8-10-19(22)3)26(4)17-25(23)27(5,6)7/h8-18H,1-7H3/q+1
InChIKeyIFIHDJZWJLJGGC-UHFFFAOYSA-N
MW374.62 g/mol
LogP5.82
Rot. Bonds4

About trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane

trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane (PubChem CID 167365037) has the molecular formula C25H32NSi+ and a molecular weight of 374.62 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
PubChem CID167365037
Molecular FormulaC25H32NSi+
Molecular Weight374.62 g/mol
Exact Mass374.23
IUPAC Nametrimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
SMILESCc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C25H32NSi/c1-18(2)20-12-14-21(15-13-20)23-16-24(22-11-9-8-10-19(22)3)26(4)17-25(23)27(5,6)7/h8-18H,1-7H3/q+1
InChIKeyIFIHDJZWJLJGGC-UHFFFAOYSA-N
XLogP5.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.62
LogP ≤ 55.82
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

trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
[4-(3-ethyl-3-methylpentan-2-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365261
5-(2-deuteriopropan-2-yl)-4-[6-(2-deuteriopropan-2-yl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830156
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123573310
4-[3,5-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123488433
[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163850942
5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
CID 159467188
[6-[4-(2-deuteriopropan-2-yl)-2-methylphenyl]-4-[dideuterio(trimethylsilyl)methyl]-1-methylpyridin-1-ium-3-yl]-trimethylsilane
CID 168730801
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
[2-(2,4-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane
CID 160741756
5-(1-deuteriocyclohexyl)-4-[6-(2-deuteriopropan-2-yl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830101

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane?
The IUPAC name of trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane (CID 167365037) is trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane is Cc1ccccc1-c1cc(-c2ccc(C(C)C)cc2)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane?
The InChIKey is IFIHDJZWJLJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32NSi/c1-18(2)20-12-14-21(15-13-20)23-16-24(22-11-9-8-10-19(22)3)26(4)17-25(23)27(5,6)7/h8-18H,1-7H3/q+1.
What are the key properties of trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane?
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane has a molecular weight of 374.62 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane is sourced from PubChem (CID 167365037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).