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

C23H16Cl2O4S — CID 86223340

IUPAC4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H16ClS.ClHO4/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1
InChIKeyIODQETKHXRPXPI-UHFFFAOYSA-M
MW459.35 g/mol
LogP2.93
Rot. Bonds3

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

4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate (PubChem CID 86223340) has the molecular formula C23H16Cl2O4S and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
PubChem CID86223340
Molecular FormulaC23H16Cl2O4S
Molecular Weight459.35 g/mol
Exact Mass458.01
IUPAC Name4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H16ClS.ClHO4/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1
InChIKeyIODQETKHXRPXPI-UHFFFAOYSA-M
XLogP2.93
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 52.93
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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Related Compounds

2,4,6-tris(4-phenylphenyl)thiopyrylium
CID 177440907
4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 88620208
4-(4-methylphenyl)-2,6-diphenylthiopyrylium
CID 10836168
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-4,5-dihydro-1,3-thiazol-3-ium perchlorate
CID 10840169
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719
6-(4-chlorophenyl)-2-ethylsulfanyl-3,4-diphenylthiopyrylium tetrafluoroborate
CID 134911244
1-chloro-4-phenylbenzene;ethanamine
CID 174641678
1-chloro-4-phenylbenzene;isocyanic acid
CID 172802258
3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate
CID 14687807
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The IUPAC name of 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate (CID 86223340) is 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate is Clc1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
The InChIKey is IODQETKHXRPXPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H16ClS.ClHO4/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate?
4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate has a molecular weight of 459.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate is sourced from PubChem (CID 86223340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).