[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane

C94H148N4Si4+4 — CID 158210979

IUPAC[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
SMILESCCC(CC)c1ccc(C)c(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c1.Cc1ccc(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c(C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C.Cc1ccc(CC(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C
InChIInChI=1S/C25H40NSi.2C24H38NSi.C21H32NSi/c1-10-20(11-2)21-13-12-19(5)23(15-21)24-16-25(27(7,8)9)22(14-18(3)4)17-26(24)6;1-17(2)13-19-16-25(7)22(15-23(19)26(8,9)10)21-14-20(24(4,5)6)12-11-18(21)3;1-17(2)12-20-11-10-19(5)22(14-20)23-15-24(26(7,8)9)21(13-18(3)4)16-25(23)6;1-15(2)11-18-14-22(5)20(13-21(18)23(6,7)8)19-10-9-16(3)12-17(19)4/h12-13,15-18,20H,10-11,14H2,1-9H3;11-12,14-17H,13H2,1-10H3;10-11,14-18H,12-13H2,1-9H3;9-10,12-15H,11H2,1-8H3/q4*+1
InChIKeyVPSUHJQAPYOACS-UHFFFAOYSA-N
MW1446.59 g/mol
LogP21.63
Rot. Bonds21

About [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane

[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane (PubChem CID 158210979) has the molecular formula C94H148N4Si4+4 and a molecular weight of 1446.59 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
PubChem CID158210979
Molecular FormulaC94H148N4Si4+4
Molecular Weight1446.59 g/mol
Exact Mass1445.08
IUPAC Name[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
SMILESCCC(CC)c1ccc(C)c(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c1.Cc1ccc(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c(C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C.Cc1ccc(CC(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C
InChIInChI=1S/C25H40NSi.2C24H38NSi.C21H32NSi/c1-10-20(11-2)21-13-12-19(5)23(15-21)24-16-25(27(7,8)9)22(14-18(3)4)17-26(24)6;1-17(2)13-19-16-25(7)22(15-23(19)26(8,9)10)21-14-20(24(4,5)6)12-11-18(21)3;1-17(2)12-20-11-10-19(5)22(14-20)23-15-24(26(7,8)9)21(13-18(3)4)16-25(23)6;1-15(2)11-18-14-22(5)20(13-21(18)23(6,7)8)19-10-9-16(3)12-17(19)4/h12-13,15-18,20H,10-11,14H2,1-9H3;11-12,14-17H,13H2,1-10H3;10-11,14-18H,12-13H2,1-9H3;9-10,12-15H,11H2,1-8H3/q4*+1
InChIKeyVPSUHJQAPYOACS-UHFFFAOYSA-N
XLogP21.63
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001446.59
LogP ≤ 521.63
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'}

Analyze [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane with MolForge

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Related Compounds

[4-tert-butyl-6-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylgermane;[4-tert-butyl-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylgermane
CID 159208889
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;[2-(2,5-dimethylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-propan-2-ylpyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-5-propan-2-ylpyridin-1-ium-4-yl]silane
CID 158592856
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-4-pentan-3-ylpyridin-1-ium;1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-pentan-3-ylpyridin-1-ium
CID 159842169
[6-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane;[4-(cyclopentylmethyl)-1-methyl-6-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 158357389
2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium
CID 160783579
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
2-(4-butan-2-yl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;1,5-dimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
CID 158801824
[2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylgermane
CID 157263420
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The IUPAC name of [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane (CID 158210979) is [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane.
What is the SMILES notation for [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The canonical SMILES for [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane is CCC(CC)c1ccc(C)c(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c1.Cc1ccc(-c2cc([Si](C)(C)C)c(CC(C)C)c[n+]2C)c(C)c1.Cc1ccc(C(C)(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C.Cc1ccc(CC(C)C)cc1-c1cc([Si](C)(C)C)c(CC(C)C)c[n+]1C.
What is the InChIKey of [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
The InChIKey is VPSUHJQAPYOACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40NSi.2C24H38NSi.C21H32NSi/c1-10-20(11-2)21-13-12-19(5)23(15-21)24-16-25(27(7,8)9)22(14-18(3)4)17-26(24)6;1-17(2)13-19-16-25(7)22(15-23(19)26(8,9)10)21-14-20(24(4,5)6)12-11-18(21)3;1-17(2)12-20-11-10-19(5)22(14-20)23-15-24(26(7,8)9)21(13-18(3)4)16-25(23)6;1-15(2)11-18-14-22(5)20(13-21(18)23(6,7)8)19-10-9-16(3)12-17(19)4/h12-13,15-18,20H,10-11,14H2,1-9H3;11-12,14-17H,13H2,1-10H3;10-11,14-18H,12-13H2,1-9H3;9-10,12-15H,11H2,1-8H3/q4*+1.
What are the key properties of [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane?
[2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane has a molecular weight of 1446.59 g/mol, XLogP of 21.63, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;[2-(2,4-dimethylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium-4-yl]-trimethylsilane;trimethyl-[1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane;trimethyl-[1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane is sourced from PubChem (CID 158210979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).