1-methyl-2,4,6-triphenylpyridin-1-ium

C24H20N+ — CID 3301949

IUPAC1-methyl-2,4,6-triphenylpyridin-1-ium
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20N/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h2-18H,1H3/q+1
InChIKeyIOEUDCDSWFHKNJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.51
Rot. Bonds3

About 1-methyl-2,4,6-triphenylpyridin-1-ium

1-methyl-2,4,6-triphenylpyridin-1-ium (PubChem CID 3301949) has the molecular formula C24H20N+ and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-methyl-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2,4,6-triphenylpyridin-1-ium
PubChem CID3301949
Molecular FormulaC24H20N+
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name1-methyl-2,4,6-triphenylpyridin-1-ium
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20N/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h2-18H,1H3/q+1
InChIKeyIOEUDCDSWFHKNJ-UHFFFAOYSA-N
XLogP5.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.51
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-methyl-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 1-methyl-2,4,6-triphenylpyridin-1-ium (CID 3301949) is 1-methyl-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 1-methyl-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 1-methyl-2,4,6-triphenylpyridin-1-ium is C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-2,4,6-triphenylpyridin-1-ium?
The InChIKey is IOEUDCDSWFHKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h2-18H,1H3/q+1.
What are the key properties of 1-methyl-2,4,6-triphenylpyridin-1-ium?
1-methyl-2,4,6-triphenylpyridin-1-ium has a molecular weight of 322.43 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 3301949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).