6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate

C24H18Cl2O5 — CID 12706208

IUPAC6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
SMILESCc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H18ClO.ClHO4/c1-17-22(18-8-4-2-5-9-18)16-23(19-12-14-21(25)15-13-19)26-24(17)20-10-6-3-7-11-20;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyOJUJUWQEJTWZGZ-UHFFFAOYSA-M
MW457.31 g/mol
LogP2.77
Rot. Bonds3

About 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate

6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate (PubChem CID 12706208) has the molecular formula C24H18Cl2O5 and a molecular weight of 457.31 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
PubChem CID12706208
Molecular FormulaC24H18Cl2O5
Molecular Weight457.31 g/mol
Exact Mass456.05
IUPAC Name6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
SMILESCc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H18ClO.ClHO4/c1-17-22(18-8-4-2-5-9-18)16-23(19-12-14-21(25)15-13-19)26-24(17)20-10-6-3-7-11-20;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyOJUJUWQEJTWZGZ-UHFFFAOYSA-M
XLogP2.77
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate (CID 12706208) is 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate is Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate?
The InChIKey is OJUJUWQEJTWZGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18ClO.ClHO4/c1-17-22(18-8-4-2-5-9-18)16-23(19-12-14-21(25)15-13-19)26-24(17)20-10-6-3-7-11-20;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate?
6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate has a molecular weight of 457.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate is sourced from PubChem (CID 12706208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).