platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)

C50H106F6O6P2PtS2+2 — CID 131739274

IUPACplatinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)
SMILESCCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Pt]
InChIInChI=1S/2C24H51P.2CHF3O3S.Pt/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2*2-1(3,4)8(5,6)7;/h2*4-24H2,1-3H3;2*(H,5,6,7);/p+2
InChIKeyYAAXFOYZWJPVCM-UHFFFAOYSA-P
MW1238.54 g/mol
LogP19.35
Rot. Bonds42

About platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)

platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) (PubChem CID 131739274) has the molecular formula C50H106F6O6P2PtS2+2 and a molecular weight of 1238.54 g/mol. Its IUPAC name is platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium).

Molecular Properties

Compound Nameplatinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)
PubChem CID131739274
Molecular FormulaC50H106F6O6P2PtS2+2
Molecular Weight1238.54 g/mol
Exact Mass1237.64
IUPAC Nameplatinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)
SMILESCCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Pt]
InChIInChI=1S/2C24H51P.2CHF3O3S.Pt/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2*2-1(3,4)8(5,6)7;/h2*4-24H2,1-3H3;2*(H,5,6,7);/p+2
InChIKeyYAAXFOYZWJPVCM-UHFFFAOYSA-P
XLogP19.35
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.54
LogP ≤ 519.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) with MolForge

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

Launch Full Analysis

Related Compounds

tricosane;trifluoromethanesulfonic acid
CID 161255361
1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
palladium;bis(trioctylphosphanium)
CID 88742312
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
sulfuric acid;tridecane
CID 91872702
tributylborane;trifluoromethanesulfonic acid
CID 19887929
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
sodium;sulfuric acid;tetradecane
CID 170922474
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
12-fluorotriacontane-12-sulfonic acid;N-methylmethanamine
CID 175529094
8-fluorononadecane-8-sulfonic acid;N-methylmethanamine
CID 175161688

Frequently Asked Questions

What is the IUPAC name of platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)?
The IUPAC name of platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) (CID 131739274) is platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium).
What is the SMILES notation for platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)?
The canonical SMILES for platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) is CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.CCCCCCCC[PH+](CCCCCCCC)CCCCCCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Pt].
What is the InChIKey of platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)?
The InChIKey is YAAXFOYZWJPVCM-UHFFFAOYSA-P. The full InChI is InChI=1S/2C24H51P.2CHF3O3S.Pt/c2*1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2*2-1(3,4)8(5,6)7;/h2*4-24H2,1-3H3;2*(H,5,6,7);/p+2.
What are the key properties of platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)?
platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) has a molecular weight of 1238.54 g/mol, XLogP of 19.35, 42 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium) is sourced from PubChem (CID 131739274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).