2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium

C24H28N+ — CID 153461079

IUPAC2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium
SMILESCCc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC
InChIInChI=1S/C24H28N/c1-6-19-14-24(25(5)16-20(19)7-2)23-15-22(17(3)13-18(23)4)21-11-9-8-10-12-21/h8-16H,6-7H2,1-5H3/q+1
InChIKeyYYGGNKZHYXMSBO-UHFFFAOYSA-N
MW330.49 g/mol
LogP5.59
Rot. Bonds4

About 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium

2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium (PubChem CID 153461079) has the molecular formula C24H28N+ and a molecular weight of 330.49 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium
PubChem CID153461079
Molecular FormulaC24H28N+
Molecular Weight330.49 g/mol
Exact Mass330.22
IUPAC Name2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium
SMILESCCc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC
InChIInChI=1S/C24H28N/c1-6-19-14-24(25(5)16-20(19)7-2)23-15-22(17(3)13-18(23)4)21-11-9-8-10-12-21/h8-16H,6-7H2,1-5H3/q+1
InChIKeyYYGGNKZHYXMSBO-UHFFFAOYSA-N
XLogP5.59
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.59
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-(2,4-dimethyl-5-phenylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium
CID 153461114
2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium
CID 140920623
2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 140920618
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
4-tert-butyl-2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethylpyridin-1-ium
CID 155629307
2-(2,4-dimethyl-5-phenylphenyl)-1,4,5-trimethylpyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 160952437
2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1-methylpyridin-1-ium
CID 169322190
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140920631
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159428964
4,5-bis(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4,5-bis(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159428965

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium?
The IUPAC name of 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium (CID 153461079) is 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium?
The canonical SMILES for 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium is CCc1cc(-c2cc(-c3ccccc3)c(C)cc2C)[n+](C)cc1CC.
What is the InChIKey of 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium?
The InChIKey is YYGGNKZHYXMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N/c1-6-19-14-24(25(5)16-20(19)7-2)23-15-22(17(3)13-18(23)4)21-11-9-8-10-12-21/h8-16H,6-7H2,1-5H3/q+1.
What are the key properties of 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium?
2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium has a molecular weight of 330.49 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-phenylphenyl)-4,5-diethyl-1-methylpyridin-1-ium is sourced from PubChem (CID 153461079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).