1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium

C24H28N+ — CID 177325131

IUPAC1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium
SMILESCCc1cc(-c2ccc(C)cc2)cc(CC)[n+]1-c1c(C)cccc1C
InChIInChI=1S/C24H28N/c1-6-22-15-21(20-13-11-17(3)12-14-20)16-23(7-2)25(22)24-18(4)9-8-10-19(24)5/h8-16H,6-7H2,1-5H3/q+1
InChIKeyLHIKPQGHZJFIKR-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.68
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium

1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium (PubChem CID 177325131) has the molecular formula C24H28N+ and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium
PubChem CID177325131
Molecular FormulaC24H28N+
Molecular Weight330.50 g/mol
Exact Mass330.22
IUPAC Name1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium
SMILESCCc1cc(-c2ccc(C)cc2)cc(CC)[n+]1-c1c(C)cccc1C
InChIInChI=1S/C24H28N/c1-6-22-15-21(20-13-11-17(3)12-14-20)16-23(7-2)25(22)24-18(4)9-8-10-19(24)5/h8-16H,6-7H2,1-5H3/q+1
InChIKeyLHIKPQGHZJFIKR-UHFFFAOYSA-N
XLogP5.68
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.68
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-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
CID 168892702
1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
CID 177325143
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619
1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
CID 168892691
1,3-dimethyl-5-(4-methylphenyl)benzene;ethanol
CID 123650314
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
butane;methane;1,3-xylene;1,4-xylene
CID 159094623
propane;1,2-xylene;1,3-xylene
CID 153377631
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
CID 164981167

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium (CID 177325131) is 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium is CCc1cc(-c2ccc(C)cc2)cc(CC)[n+]1-c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium?
The InChIKey is LHIKPQGHZJFIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N/c1-6-22-15-21(20-13-11-17(3)12-14-20)16-23(7-2)25(22)24-18(4)9-8-10-19(24)5/h8-16H,6-7H2,1-5H3/q+1.
What are the key properties of 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium?
1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium has a molecular weight of 330.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 177325131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).