4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate

C23H15Cl3O4S — CID 88620208

IUPAC4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)c(Cl)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H15Cl2S.ClHO4/c24-19-11-12-20(21(25)15-19)18-13-22(16-7-3-1-4-8-16)26-23(14-18)17-9-5-2-6-10-17;2-1(3,4)5/h1-15H;(H,2,3,4,5)/q+1;/p-1
InChIKeyNXVYMWMERRXANY-UHFFFAOYSA-M
MW493.80 g/mol
LogP3.58
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate

4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate (PubChem CID 88620208) has the molecular formula C23H15Cl3O4S and a molecular weight of 493.80 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate
PubChem CID88620208
Molecular FormulaC23H15Cl3O4S
Molecular Weight493.80 g/mol
Exact Mass491.98
IUPAC Name4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)c(Cl)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H15Cl2S.ClHO4/c24-19-11-12-20(21(25)15-19)18-13-22(16-7-3-1-4-8-16)26-23(14-18)17-9-5-2-6-10-17;2-1(3,4)5/h1-15H;(H,2,3,4,5)/q+1;/p-1
InChIKeyNXVYMWMERRXANY-UHFFFAOYSA-M
XLogP3.58
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The IUPAC name of 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate (CID 88620208) is 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate is Clc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)c(Cl)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The InChIKey is NXVYMWMERRXANY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15Cl2S.ClHO4/c24-19-11-12-20(21(25)15-19)18-13-22(16-7-3-1-4-8-16)26-23(14-18)17-9-5-2-6-10-17;2-1(3,4)5/h1-15H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate has a molecular weight of 493.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate is sourced from PubChem (CID 88620208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).