[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate

C38H30F6O7P2S2 — CID 12027763

IUPAC[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OP(OP(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C38H30F6O7P2S2/c39-37(40,41)54(45,46)50-52(31-19-7-1-8-20-31,32-21-9-2-10-22-32,33-23-11-3-12-24-33)49-53(34-25-13-4-14-26-34,35-27-15-5-16-28-35,36-29-17-6-18-30-36)51-55(47,48)38(42,43)44/h1-30H
InChIKeyZDGGLMFDFAIIGI-UHFFFAOYSA-N
MW838.72 g/mol
LogP7.45
Rot. Bonds12

About [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate

[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate (PubChem CID 12027763) has the molecular formula C38H30F6O7P2S2 and a molecular weight of 838.72 g/mol. Its IUPAC name is [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
PubChem CID12027763
Molecular FormulaC38H30F6O7P2S2
Molecular Weight838.72 g/mol
Exact Mass838.08
IUPAC Name[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
SMILESO=S(=O)(OP(OP(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C38H30F6O7P2S2/c39-37(40,41)54(45,46)50-52(31-19-7-1-8-20-31,32-21-9-2-10-22-32,33-23-11-3-12-24-33)49-53(34-25-13-4-14-26-34,35-27-15-5-16-28-35,36-29-17-6-18-30-36)51-55(47,48)38(42,43)44/h1-30H
InChIKeyZDGGLMFDFAIIGI-UHFFFAOYSA-N
XLogP7.45
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.72
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[benzenesulfonylmethyl(triphenyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 134976892
[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 134976930
CID 164863138
CID 164863138
oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
CID 172859449
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280
[[(Z)-4-(4-methylphenyl)but-3-enyl]-triphenyl-λ5-phosphanyl] trifluoromethanesulfonate
CID 134977072
[triphenyl-[(E)-undec-2-enyl]-λ5-phosphanyl] trifluoromethanesulfonate
CID 134978514
[diethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 87831914
(diphenyl-λ3-iodanyl) trifluoromethanesulfonate;trifluoromethanesulfonic acid
CID 158041426
trifluoromethylsulfonyl benzoate
CID 11064956
[N-(trifluoromethylsulfonyloxy)anilino] trifluoromethanesulfonate
CID 10937983

Frequently Asked Questions

What is the IUPAC name of [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate?
The IUPAC name of [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate (CID 12027763) is [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate.
What is the SMILES notation for [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate?
The canonical SMILES for [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate is O=S(=O)(OP(OP(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate?
The InChIKey is ZDGGLMFDFAIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30F6O7P2S2/c39-37(40,41)54(45,46)50-52(31-19-7-1-8-20-31,32-21-9-2-10-22-32,33-23-11-3-12-24-33)49-53(34-25-13-4-14-26-34,35-27-15-5-16-28-35,36-29-17-6-18-30-36)51-55(47,48)38(42,43)44/h1-30H.
What are the key properties of [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate?
[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate has a molecular weight of 838.72 g/mol, XLogP of 7.45, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate is sourced from PubChem (CID 12027763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).