1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium

C25H22NO+ — CID 3839300

IUPAC1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium
SMILESCOc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H22NO/c1-27-24-14-12-20(13-15-24)19-26-17-16-23(21-8-4-2-5-9-21)18-25(26)22-10-6-3-7-11-22/h2-18H,19H2,1H3/q+1
InChIKeyFPGOHBAEIKTJOX-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.36
Rot. Bonds5

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

1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium (PubChem CID 3839300) has the molecular formula C25H22NO+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium
PubChem CID3839300
Molecular FormulaC25H22NO+
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium
SMILESCOc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H22NO/c1-27-24-14-12-20(13-15-24)19-26-17-16-23(21-8-4-2-5-9-21)18-25(26)22-10-6-3-7-11-22/h2-18H,19H2,1H3/q+1
InChIKeyFPGOHBAEIKTJOX-UHFFFAOYSA-N
XLogP5.36
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.36
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

4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
2-methoxy-6-phenylnaphthalene
CID 11253308
2-chloro-1-[(4-methoxyphenyl)methyl]pyridin-1-ium
CID 15766527
2-bromo-1-[(4-methoxyphenyl)methyl]pyridin-1-ium
CID 175795084
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
1-[(4-methoxyphenyl)methyl]-4-[1-[(4-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 129061302
1-benzyl-5-methoxy-2-methylpyridin-1-ium
CID 100989796
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
4-(4-methoxyphenyl)-1-[6-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]hexyl]-2,6-diphenylpyridin-1-ium diperchlorate
CID 13185032

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium (CID 3839300) is 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium is COc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium?
The InChIKey is FPGOHBAEIKTJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22NO/c1-27-24-14-12-20(13-15-24)19-26-17-16-23(21-8-4-2-5-9-21)18-25(26)22-10-6-3-7-11-22/h2-18H,19H2,1H3/q+1.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium?
1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium has a molecular weight of 352.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,4-diphenylpyridin-1-ium is sourced from PubChem (CID 3839300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).