4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium

C25H22NO+ — CID 2326756

IUPAC4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
SMILESCOc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H22NO/c1-26-24(20-9-5-3-6-10-20)17-22(19-13-15-23(27-2)16-14-19)18-25(26)21-11-7-4-8-12-21/h3-18H,1-2H3/q+1
InChIKeyKGGXBIFSXHPETL-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.52
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium

4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium (PubChem CID 2326756) has the molecular formula C25H22NO+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
PubChem CID2326756
Molecular FormulaC25H22NO+
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
SMILESCOc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H22NO/c1-26-24(20-9-5-3-6-10-20)17-22(19-13-15-23(27-2)16-14-19)18-25(26)21-11-7-4-8-12-21/h3-18H,1-2H3/q+1
InChIKeyKGGXBIFSXHPETL-UHFFFAOYSA-N
XLogP5.52
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium
CID 2855579
2-methoxy-6-phenylnaphthalene
CID 11253308
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate
CID 2855578
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
CID 154594189
4-(4-methoxyphenyl)-1-[6-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]hexyl]-2,6-diphenylpyridin-1-ium diperchlorate
CID 13185032
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium (CID 2326756) is 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium is COc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium?
The InChIKey is KGGXBIFSXHPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22NO/c1-26-24(20-9-5-3-6-10-20)17-22(19-13-15-23(27-2)16-14-19)18-25(26)21-11-7-4-8-12-21/h3-18H,1-2H3/q+1.
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium?
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium has a molecular weight of 352.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium is sourced from PubChem (CID 2326756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).