2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium

C26H32N+ — CID 167357480

IUPAC2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3C)[n+](C)cc2C)c(C)c1
InChIInChI=1S/C26H32N/c1-17-9-11-22(18(2)13-17)24-15-25(27(8)16-20(24)4)23-12-10-21(14-19(23)3)26(5,6)7/h9-16H,1-8H3/q+1
InChIKeyGXGIODPJYIIHKC-UHFFFAOYSA-N
MW358.55 g/mol
LogP6.38
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium

2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium (PubChem CID 167357480) has the molecular formula C26H32N+ and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
PubChem CID167357480
Molecular FormulaC26H32N+
Molecular Weight358.55 g/mol
Exact Mass358.25
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3C)[n+](C)cc2C)c(C)c1
InChIInChI=1S/C26H32N/c1-17-9-11-22(18(2)13-17)24-15-25(27(8)16-20(24)4)23-12-10-21(14-19(23)3)26(5,6)7/h9-16H,1-8H3/q+1
InChIKeyGXGIODPJYIIHKC-UHFFFAOYSA-N
XLogP6.38
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 56.38
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)-1,5-dimethylpyridin-1-ium
CID 123976026
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018
2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium
CID 153461096
2-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
CID 176787469
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)-5-(2-cyclopentylpropan-2-yl)-1,4-dimethylpyridin-1-ium
CID 167357583
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-4-cyclohexyl-1-methylpyridin-1-ium
CID 167358217
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
2-[6-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-3-yl]-2-methylpropanenitrile
CID 167357486
4-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 167358284

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium (CID 167357480) is 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium is Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3C)[n+](C)cc2C)c(C)c1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium?
The InChIKey is GXGIODPJYIIHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N/c1-17-9-11-22(18(2)13-17)24-15-25(27(8)16-20(24)4)23-12-10-21(14-19(23)3)26(5,6)7/h9-16H,1-8H3/q+1.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium?
2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium has a molecular weight of 358.55 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium is sourced from PubChem (CID 167357480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).