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

C22H24N+ — CID 168892681

IUPAC2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1
InChIInChI=1S/C22H24N/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20/h6-14H,1-5H3/q+1
InChIKeyIUQROGGVNNSVSK-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.17
Rot. Bonds2

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

2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium (PubChem CID 168892681) has the molecular formula C22H24N+ and a molecular weight of 302.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
PubChem CID168892681
Molecular FormulaC22H24N+
Molecular Weight302.44 g/mol
Exact Mass302.19
IUPAC Name2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1
InChIInChI=1S/C22H24N/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20/h6-14H,1-5H3/q+1
InChIKeyIUQROGGVNNSVSK-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 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The IUPAC name of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium (CID 168892681) is 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The canonical SMILES for 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-[n+]2c(C)cc(-c3ccccc3)cc2C)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
The InChIKey is IUQROGGVNNSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N/c1-15-11-16(2)22(17(3)12-15)23-18(4)13-21(14-19(23)5)20-9-7-6-8-10-20/h6-14H,1-5H3/q+1.
What are the key properties of 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium?
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)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 2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 168892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).