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

C24H20NO+ — CID 12925199

IUPAC1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20NO/c1-26-22-17-15-21(16-18-22)25-23(19-9-4-2-5-10-19)13-8-14-24(25)20-11-6-3-7-12-20/h2-18H,1H3/q+1
InChIKeyNBQJBPWNJYKGKQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.31
Rot. Bonds4

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

1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium (PubChem CID 12925199) has the molecular formula C24H20NO+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
PubChem CID12925199
Molecular FormulaC24H20NO+
Molecular Weight338.43 g/mol
Exact Mass338.15
IUPAC Name1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20NO/c1-26-22-17-15-21(16-18-22)25-23(19-9-4-2-5-10-19)13-8-14-24(25)20-11-6-3-7-12-20/h2-18H,1H3/q+1
InChIKeyNBQJBPWNJYKGKQ-UHFFFAOYSA-N
XLogP5.31
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-1-methyl-3-phenylisoquinolin-2-ium iodide
CID 139256167
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-oxido-4-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-4-phenyl-1,3-oxazol-3-ium-5-olate
CID 177453116
3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium
CID 154596514
4-(4-methoxyphenyl)-3-[4-[4-(4-methoxyphenyl)-5-oxido-2-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-2-phenyl-1,3-oxazol-3-ium-5-olate
CID 177472028
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
anisole;1,1'-biphenyl;naphthalene
CID 161250692

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium?
The IUPAC name of 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium (CID 12925199) is 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium?
The canonical SMILES for 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium is COc1ccc(-[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium?
The InChIKey is NBQJBPWNJYKGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO/c1-26-22-17-15-21(16-18-22)25-23(19-9-4-2-5-10-19)13-8-14-24(25)20-11-6-3-7-12-20/h2-18H,1H3/q+1.
What are the key properties of 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium?
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium has a molecular weight of 338.43 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium is sourced from PubChem (CID 12925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).