1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium

C24H28N+ — CID 140944401

IUPAC1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-c2c(C)cc(C)c(-c3ccccc3C)[n+]2C)cc1C
InChIInChI=1S/C24H28N/c1-15-10-8-9-11-21(15)23-19(5)13-20(6)24(25(23)7)22-14-17(3)16(2)12-18(22)4/h8-14H,1-7H3/q+1
InChIKeyFIKBVTNEUOKIOJ-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.70
Rot. Bonds2

About 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium

1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium (PubChem CID 140944401) has the molecular formula C24H28N+ and a molecular weight of 330.50 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
PubChem CID140944401
Molecular FormulaC24H28N+
Molecular Weight330.50 g/mol
Exact Mass330.22
IUPAC Name1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
SMILESCc1cc(C)c(-c2c(C)cc(C)c(-c3ccccc3C)[n+]2C)cc1C
InChIInChI=1S/C24H28N/c1-15-10-8-9-11-21(15)23-19(5)13-20(6)24(25(23)7)22-14-17(3)16(2)12-18(22)4/h8-14H,1-7H3/q+1
InChIKeyFIKBVTNEUOKIOJ-UHFFFAOYSA-N
XLogP5.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.70
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

1,3,5-trimethyl-2-(2-methylphenyl)-6-(1,4,5-trimethylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944348
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
CID 140944429
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
CID 168843060
1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 140944337
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
1,6-dimethyl-2-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 158964747
5,6-dimethyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium
CID 169055461
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The IUPAC name of 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium (CID 140944401) is 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium.
What is the SMILES notation for 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The canonical SMILES for 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium is Cc1cc(C)c(-c2c(C)cc(C)c(-c3ccccc3C)[n+]2C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
The InChIKey is FIKBVTNEUOKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N/c1-15-10-8-9-11-21(15)23-19(5)13-20(6)24(25(23)7)22-14-17(3)16(2)12-18(22)4/h8-14H,1-7H3/q+1.
What are the key properties of 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium?
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium has a molecular weight of 330.50 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium is sourced from PubChem (CID 140944401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).