1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium

C20H20N+ — CID 58240297

IUPAC1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2ccc(-c3ccccc3)cc2C)[n+](C)c1
InChIInChI=1S/C20H20N/c1-15-9-12-20(21(3)14-15)19-11-10-18(13-16(19)2)17-7-5-4-6-8-17/h4-14H,1-3H3/q+1
InChIKeyFDRRGXDNESEUDX-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.46
Rot. Bonds2

About 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium

1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium (PubChem CID 58240297) has the molecular formula C20H20N+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
PubChem CID58240297
Molecular FormulaC20H20N+
Molecular Weight274.39 g/mol
Exact Mass274.16
IUPAC Name1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2ccc(-c3ccccc3)cc2C)[n+](C)c1
InChIInChI=1S/C20H20N/c1-15-9-12-20(21(3)14-15)19-11-10-18(13-16(19)2)17-7-5-4-6-8-17/h4-14H,1-3H3/q+1
InChIKeyFDRRGXDNESEUDX-UHFFFAOYSA-N
XLogP4.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.46
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

1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;bis(1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium);2-(2,4-dimethylphenyl)-1,5-dimethyl-4-phenylpyridin-1-ium;1-methyl-2-(2-methyl-4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
CID 160966715
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 167346400
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
CID 159214991
1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
CID 159567279
1-methyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 161457382
4-(1,5-dimethylpyridin-1-ium-2-yl)-3-methylbenzonitrile
CID 177271047
1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium
CID 140869290
5-(1,1-dideuterioethyl)-1-methyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1,4-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium;1-methyl-2-(2-methyl-4-phenylphenyl)-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-4-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 159456730
2-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]pyridin-1-ium
CID 176787469
1-methyl-2-(2-methylphenyl)-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenylpyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 158140445

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium (CID 58240297) is 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium is Cc1ccc(-c2ccc(-c3ccccc3)cc2C)[n+](C)c1.
What is the InChIKey of 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium?
The InChIKey is FDRRGXDNESEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N/c1-15-9-12-20(21(3)14-15)19-11-10-18(13-16(19)2)17-7-5-4-6-8-17/h4-14H,1-3H3/q+1.
What are the key properties of 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium?
1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium has a molecular weight of 274.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 58240297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).