nonakis(triphenylsulfanium);hexafluoride;stiborate

C162H135F6O4S9Sb — CID 159735893

IUPACnonakis(triphenylsulfanium);hexafluoride;stiborate
SMILESO=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/9C18H15S.6FH.4O.Sb/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;/h9*1-15H;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6
InChIKeyNBVJPWXKDDNTSW-UHFFFAOYSA-H
MW2670.21 g/mol
LogP21.00
Rot. Bonds27

About nonakis(triphenylsulfanium);hexafluoride;stiborate

nonakis(triphenylsulfanium);hexafluoride;stiborate (PubChem CID 159735893) has the molecular formula C162H135F6O4S9Sb and a molecular weight of 2670.21 g/mol. Its IUPAC name is nonakis(triphenylsulfanium);hexafluoride;stiborate.

Molecular Properties

Compound Namenonakis(triphenylsulfanium);hexafluoride;stiborate
PubChem CID159735893
Molecular FormulaC162H135F6O4S9Sb
Molecular Weight2670.21 g/mol
Exact Mass2666.68
IUPAC Namenonakis(triphenylsulfanium);hexafluoride;stiborate
SMILESO=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/9C18H15S.6FH.4O.Sb/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;/h9*1-15H;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6
InChIKeyNBVJPWXKDDNTSW-UHFFFAOYSA-H
XLogP21.00
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002670.21
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonakis(triphenylsulfanium);hexafluoride;stiborate?
The IUPAC name of nonakis(triphenylsulfanium);hexafluoride;stiborate (CID 159735893) is nonakis(triphenylsulfanium);hexafluoride;stiborate.
What is the SMILES notation for nonakis(triphenylsulfanium);hexafluoride;stiborate?
The canonical SMILES for nonakis(triphenylsulfanium);hexafluoride;stiborate is O=[Sb]([O-])([O-])[O-].[F-].[F-].[F-].[F-].[F-].[F-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nonakis(triphenylsulfanium);hexafluoride;stiborate?
The InChIKey is NBVJPWXKDDNTSW-UHFFFAOYSA-H. The full InChI is InChI=1S/9C18H15S.6FH.4O.Sb/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;/h9*1-15H;6*1H;;;;;/q9*+1;;;;;;;;3*-1;/p-6.
What are the key properties of nonakis(triphenylsulfanium);hexafluoride;stiborate?
nonakis(triphenylsulfanium);hexafluoride;stiborate has a molecular weight of 2670.21 g/mol, XLogP of 21.00, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(triphenylsulfanium);hexafluoride;stiborate is sourced from PubChem (CID 159735893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).