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

C22H24N+ — CID 168892702

IUPAC1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1
InChIInChI=1S/C22H24N/c1-15-9-11-20(12-10-15)21-13-18(4)23(19(5)14-21)22-16(2)7-6-8-17(22)3/h6-14H,1-5H3/q+1
InChIKeyZTGUGAPGNKQYQW-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.17
Rot. Bonds2

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

1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium (PubChem CID 168892702) has the molecular formula C22H24N+ and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
PubChem CID168892702
Molecular FormulaC22H24N+
Molecular Weight302.44 g/mol
Exact Mass302.19
IUPAC Name1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1
InChIInChI=1S/C22H24N/c1-15-9-11-20(12-10-15)21-13-18(4)23(19(5)14-21)22-16(2)7-6-8-17(22)3/h6-14H,1-5H3/q+1
InChIKeyZTGUGAPGNKQYQW-UHFFFAOYSA-N
XLogP5.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium (CID 168892702) is 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium is Cc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium?
The InChIKey is ZTGUGAPGNKQYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N/c1-15-9-11-20(12-10-15)21-13-18(4)23(19(5)14-21)22-16(2)7-6-8-17(22)3/h6-14H,1-5H3/q+1.
What are the key properties of 1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium?
1-(2,6-dimethylphenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium has a molecular weight of 302.44 g/mol, XLogP of 5.17, 2 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-dimethyl-4-(4-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 168892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).