2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium

C22H24N+ — CID 140920741

IUPAC2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(-c3cc(C)cc[n+]3C)c(C)cc2C)cc1
InChIInChI=1S/C22H24N/c1-15-6-8-19(9-7-15)20-14-21(18(4)13-17(20)3)22-12-16(2)10-11-23(22)5/h6-14H,1-5H3/q+1
InChIKeyGHPHZEVGELWXQB-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.08
Rot. Bonds2

About 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium

2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium (PubChem CID 140920741) has the molecular formula C22H24N+ and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium
PubChem CID140920741
Molecular FormulaC22H24N+
Molecular Weight302.44 g/mol
Exact Mass302.19
IUPAC Name2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium
SMILESCc1ccc(-c2cc(-c3cc(C)cc[n+]3C)c(C)cc2C)cc1
InChIInChI=1S/C22H24N/c1-15-6-8-19(9-7-15)20-14-21(18(4)13-17(20)3)22-12-16(2)10-11-23(22)5/h6-14H,1-5H3/q+1
InChIKeyGHPHZEVGELWXQB-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
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-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
1,4-dimethyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 158624944
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium;4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 159696330
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920657
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
4-tert-butyl-2-[5-(3,5-ditert-butylphenyl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 172534755
[1,4-dimethyl-6-[2-methyl-5-(4-methylphenyl)-4-trimethylsilylphenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163850942
4-[4-methyl-5-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-(trideuteriomethyl)phenyl]benzonitrile
CID 166043921
5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 163527251
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-(1,4,4-trimethylcyclohexyl)pyridin-1-ium
CID 176865281
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920752

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium?
The IUPAC name of 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium (CID 140920741) is 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium.
What is the SMILES notation for 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium?
The canonical SMILES for 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium is Cc1ccc(-c2cc(-c3cc(C)cc[n+]3C)c(C)cc2C)cc1.
What is the InChIKey of 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium?
The InChIKey is GHPHZEVGELWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N/c1-15-6-8-19(9-7-15)20-14-21(18(4)13-17(20)3)22-12-16(2)10-11-23(22)5/h6-14H,1-5H3/q+1.
What are the key properties of 2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium?
2-[2,4-dimethyl-5-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium has a molecular weight of 302.44 g/mol, XLogP of 5.08, 2 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-(4-methylphenyl)phenyl]-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 140920741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).