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

C24H20N+ — CID 3702073

IUPAC2-methyl-1,4,6-triphenylpyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1
InChIInChI=1S/C24H20N/c1-19-17-22(20-11-5-2-6-12-20)18-24(21-13-7-3-8-14-21)25(19)23-15-9-4-10-16-23/h2-18H,1H3/q+1
InChIKeyGCXFNYYWVNGMJM-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.61
Rot. Bonds3

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

2-methyl-1,4,6-triphenylpyridin-1-ium (PubChem CID 3702073) has the molecular formula C24H20N+ and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-1,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1,4,6-triphenylpyridin-1-ium
PubChem CID3702073
Molecular FormulaC24H20N+
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name2-methyl-1,4,6-triphenylpyridin-1-ium
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1
InChIInChI=1S/C24H20N/c1-19-17-22(20-11-5-2-6-12-20)18-24(21-13-7-3-8-14-21)25(19)23-15-9-4-10-16-23/h2-18H,1H3/q+1
InChIKeyGCXFNYYWVNGMJM-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
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

2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
CID 12627142
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133
2-hydroxy-4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)benzoic acid perchlorate
CID 10504949
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium
CID 168892713
1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-carboxylic acid
CID 3730818
3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole
CID 3337384
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid
CID 3720319
5-[[4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 11158129
4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
4-[1-(4-methylphenyl)-4-[4-[1-(4-methylphenyl)-2-phenyl-6-(4-sulfophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenylpyridin-1-ium-2-yl]benzenesulfonic acid
CID 3698598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,6-triphenylpyridin-1-ium?
The IUPAC name of 2-methyl-1,4,6-triphenylpyridin-1-ium (CID 3702073) is 2-methyl-1,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 2-methyl-1,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 2-methyl-1,4,6-triphenylpyridin-1-ium is Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1.
What is the InChIKey of 2-methyl-1,4,6-triphenylpyridin-1-ium?
The InChIKey is GCXFNYYWVNGMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N/c1-19-17-22(20-11-5-2-6-12-20)18-24(21-13-7-3-8-14-21)25(19)23-15-9-4-10-16-23/h2-18H,1H3/q+1.
What are the key properties of 2-methyl-1,4,6-triphenylpyridin-1-ium?
2-methyl-1,4,6-triphenylpyridin-1-ium has a molecular weight of 322.43 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 3702073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).