hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)

C228H204F6O18P6S12 — CID 173312038

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
SMILESCc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C19H17S.6FH2O3P/c12*1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyNUNSRCPYPLTHKQ-UHFFFAOYSA-B
MW3916.76 g/mol
LogP53.79
Rot. Bonds36

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) (PubChem CID 173312038) has the molecular formula C228H204F6O18P6S12 and a molecular weight of 3916.76 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
PubChem CID173312038
Molecular FormulaC228H204F6O18P6S12
Molecular Weight3916.76 g/mol
Exact Mass3913.00
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
SMILESCc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C19H17S.6FH2O3P/c12*1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyNUNSRCPYPLTHKQ-UHFFFAOYSA-B
XLogP53.79
TPSA379.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003916.76
LogP ≤ 553.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) 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 hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) (CID 173312038) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) is Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.Cc1ccccc1[S+](c1ccccc1)c1ccccc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)?
The InChIKey is NUNSRCPYPLTHKQ-UHFFFAOYSA-B. The full InChI is InChI=1S/12C19H17S.6FH2O3P/c12*1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) has a molecular weight of 3916.76 g/mol, XLogP of 53.79, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium) is sourced from PubChem (CID 173312038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).