1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate

C30H24ClNO5 — CID 24892251

IUPAC1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C30H24NO.ClHO4/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyVTQDBZFUSCKGAZ-UHFFFAOYSA-M
MW513.98 g/mol
LogP2.22
Rot. Bonds5

About 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate

1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate (PubChem CID 24892251) has the molecular formula C30H24ClNO5 and a molecular weight of 513.98 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
PubChem CID24892251
Molecular FormulaC30H24ClNO5
Molecular Weight513.98 g/mol
Exact Mass513.13
IUPAC Name1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C30H24NO.ClHO4/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyVTQDBZFUSCKGAZ-UHFFFAOYSA-M
XLogP2.22
TPSA105.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.98
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acridine, 9-(p-anisidino)-
CID 43640
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220
4,6-Dimethoxy-2-phenylquinoline
CID 826237
2-(2,4,6-Triphenylpyridin-1-ium-1-yl)phenolate
CID 3548104
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
1-[1-(4-Methoxyphenyl)ethenyl]-3-methylisoquinoline
CID 118444192
2-Methoxy-3-methyl-4,6-diphenylpyridine
CID 141482524
2,6-Bis(4-methoxyphenyl)pyridine
CID 740843
pyridinium, 1-(4-hydroxyphenyl)-2,4,6-triphenyl-, inner salt
CID 87214
1-(4-Hydroxyphenyl)-2,4,6-triphenylpyridinium perchlorate
CID 12627145

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate?
The IUPAC name of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate (CID 24892251) is 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate?
The canonical SMILES for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate is COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate?
The InChIKey is VTQDBZFUSCKGAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H24NO.ClHO4/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate?
1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate has a molecular weight of 513.98 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 24892251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).