1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium

C23H26N+ — CID 140944316

IUPAC1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2C)[n+](C)c(-c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C23H26N/c1-15-11-22(20-10-8-7-9-16(20)2)24(6)23(12-15)21-14-18(4)17(3)13-19(21)5/h7-14H,1-6H3/q+1
InChIKeyWHBVJXIWXGECAK-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.39
Rot. Bonds2

About 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium

1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium (PubChem CID 140944316) has the molecular formula C23H26N+ and a molecular weight of 316.47 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
PubChem CID140944316
Molecular FormulaC23H26N+
Molecular Weight316.47 g/mol
Exact Mass316.21
IUPAC Name1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(-c2ccccc2C)[n+](C)c(-c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C23H26N/c1-15-11-22(20-10-8-7-9-16(20)2)24(6)23(12-15)21-14-18(4)17(3)13-19(21)5/h7-14H,1-6H3/q+1
InChIKeyWHBVJXIWXGECAK-UHFFFAOYSA-N
XLogP5.39
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.39
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

1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
2-(2,5-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium;bis(2-(2,6-dimethylphenyl)-1,4,6-trimethylpyridin-1-ium)
CID 163471923
1,2-dimethyl-6-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 169055448
2-(2,3-dimethylphenyl)-1,4-dimethyl-6-(trideuteriomethyl)pyridin-1-ium
CID 157197057
1-methyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-4-(trideuteriomethyl)pyridin-1-ium
CID 140944469
2-[1-(1,4-dimethylpyridin-1-ium-2-yl)-1-(2-methylphenyl)ethyl]-1,4-dimethyl-6-(2-methylphenyl)pyridin-1-ium
CID 153276081
4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466967
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
1,2-dimethyl-3,5-bis(2-methylphenyl)pyrazol-2-ium
CID 157199788
1,3,5-trimethyl-2-(2-methylphenyl)-6-(1,4,5-trimethylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944348
4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 161128018
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium (CID 140944316) is 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The canonical SMILES for 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium is Cc1cc(-c2ccccc2C)[n+](C)c(-c2cc(C)c(C)cc2C)c1.
What is the InChIKey of 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The InChIKey is WHBVJXIWXGECAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N/c1-15-11-22(20-10-8-7-9-16(20)2)24(6)23(12-15)21-14-18(4)17(3)13-19(21)5/h7-14H,1-6H3/q+1.
What are the key properties of 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium has a molecular weight of 316.47 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 140944316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).