2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate

C25H22ClNO4 — CID 12627142

IUPAC2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
SMILESCc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H22N.ClHO4/c1-19-13-15-24(16-14-19)26-20(2)17-23(21-9-5-3-6-10-21)18-25(26)22-11-7-4-8-12-22;2-1(3,4)5/h3-18H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCRPONFGBFWLLME-UHFFFAOYSA-M
MW435.91 g/mol
LogP1.16
Rot. Bonds3

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

2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate (PubChem CID 12627142) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
PubChem CID12627142
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
SMILESCc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H22N.ClHO4/c1-19-13-15-24(16-14-19)26-20(2)17-23(21-9-5-3-6-10-21)18-25(26)22-11-7-4-8-12-22;2-1(3,4)5/h3-18H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCRPONFGBFWLLME-UHFFFAOYSA-M
XLogP1.16
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
2-hydroxy-4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)benzoic acid perchlorate
CID 10504949
4-[1-(4-methylphenyl)-4-[4-[1-(4-methylphenyl)-2-phenyl-6-(4-sulfophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenylpyridin-1-ium-2-yl]benzenesulfonic acid
CID 3698598
1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-carboxylic acid
CID 3730818
4-methylbenzenesulfonate;4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol
CID 11146226
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320
1-(4-bromophenyl)-2,6-dimethyl-4-(4-methylphenyl)pyridin-1-ium
CID 168892694
1-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-2,6-dimethyl-4-phenylpyridin-1-ium perchlorate
CID 54607926
2-[4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10838457
2-methyl-4,6-bis(4-methylphenyl)-1-propylpyridin-1-ium perchlorate
CID 44888108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate (CID 12627142) is 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate is Cc1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate?
The InChIKey is CRPONFGBFWLLME-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22N.ClHO4/c1-19-13-15-24(16-14-19)26-20(2)17-23(21-9-5-3-6-10-21)18-25(26)22-11-7-4-8-12-22;2-1(3,4)5/h3-18H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate?
2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate has a molecular weight of 435.91 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 12627142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).