[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane

C24H38GeN+ — CID 159317018

IUPAC[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)c(C(C)(C)C)c[n+]1C
InChIInChI=1S/C24H38GeN/c1-17-14-18(23(2,3)4)12-13-19(17)22-15-21(25(8,9)10)20(16-26(22)11)24(5,6)7/h12-16H,1-11H3/q+1
InChIKeyVNDFYCCBSSFYFW-UHFFFAOYSA-N
MW413.19 g/mol
LogP5.63
Rot. Bonds2

About [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane

[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane (PubChem CID 159317018) has the molecular formula C24H38GeN+ and a molecular weight of 413.19 g/mol. Its IUPAC name is [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane.

Molecular Properties

Compound Name[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
PubChem CID159317018
Molecular FormulaC24H38GeN+
Molecular Weight413.19 g/mol
Exact Mass414.22
IUPAC Name[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
SMILESCc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)c(C(C)(C)C)c[n+]1C
InChIInChI=1S/C24H38GeN/c1-17-14-18(23(2,3)4)12-13-19(17)22-15-21(25(8,9)10)20(16-26(22)11)24(5,6)7/h12-16H,1-11H3/q+1
InChIKeyVNDFYCCBSSFYFW-UHFFFAOYSA-N
XLogP5.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.19
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylgermane
CID 157263420
2-(4-tert-butyl-2-methylphenyl)-5-(2-cyclopentylpropan-2-yl)-1,4-dimethylpyridin-1-ium
CID 167357583
2-[6-(4-tert-butyl-2-methylphenyl)-1,4-dimethylpyridin-1-ium-3-yl]propan-2-yl-trimethylsilane
CID 167357509
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-4-cyclohexyl-1-methylpyridin-1-ium
CID 167358217
[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 158154791
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881
2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
CID 167357480
[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 160731296
5-tert-butyl-2-(5-tert-butyl-2-methylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 172534721
2-[6-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-2-methylpropanenitrile
CID 167357486

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The IUPAC name of [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane (CID 159317018) is [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane.
What is the SMILES notation for [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The canonical SMILES for [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane is Cc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)c(C(C)(C)C)c[n+]1C.
What is the InChIKey of [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
The InChIKey is VNDFYCCBSSFYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38GeN/c1-17-14-18(23(2,3)4)12-13-19(17)22-15-21(25(8,9)10)20(16-26(22)11)24(5,6)7/h12-16H,1-11H3/q+1.
What are the key properties of [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane?
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane has a molecular weight of 413.19 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane is sourced from PubChem (CID 159317018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).