octadecakis(triphenylsulfanium);hexastiborate

C324H270O24S18Sb6 — CID 158415620

IUPACoctadecakis(triphenylsulfanium);hexastiborate
SMILESO=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].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.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/18C18H15S.24O.6Sb/c18*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h18*1-15H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*+1;;;;;;;18*-1;;;;;;
InChIKeyGZVXXDAMPUCEQM-UHFFFAOYSA-N
MW5855.47 g/mol
LogP61.68
Rot. Bonds54

About octadecakis(triphenylsulfanium);hexastiborate

octadecakis(triphenylsulfanium);hexastiborate (PubChem CID 158415620) has the molecular formula C324H270O24S18Sb6 and a molecular weight of 5855.47 g/mol. Its IUPAC name is octadecakis(triphenylsulfanium);hexastiborate.

Molecular Properties

Compound Nameoctadecakis(triphenylsulfanium);hexastiborate
PubChem CID158415620
Molecular FormulaC324H270O24S18Sb6
Molecular Weight5855.47 g/mol
Exact Mass5844.91
IUPAC Nameoctadecakis(triphenylsulfanium);hexastiborate
SMILESO=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].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.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/18C18H15S.24O.6Sb/c18*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h18*1-15H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*+1;;;;;;;18*-1;;;;;;
InChIKeyGZVXXDAMPUCEQM-UHFFFAOYSA-N
XLogP61.68
TPSA517.50 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds54
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005855.47
LogP ≤ 561.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of octadecakis(triphenylsulfanium);hexastiborate?
The IUPAC name of octadecakis(triphenylsulfanium);hexastiborate (CID 158415620) is octadecakis(triphenylsulfanium);hexastiborate.
What is the SMILES notation for octadecakis(triphenylsulfanium);hexastiborate?
The canonical SMILES for octadecakis(triphenylsulfanium);hexastiborate is O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].O=[Sb]([O-])([O-])[O-].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.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 octadecakis(triphenylsulfanium);hexastiborate?
The InChIKey is GZVXXDAMPUCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/18C18H15S.24O.6Sb/c18*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h18*1-15H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q18*+1;;;;;;;18*-1;;;;;;.
What are the key properties of octadecakis(triphenylsulfanium);hexastiborate?
octadecakis(triphenylsulfanium);hexastiborate has a molecular weight of 5855.47 g/mol, XLogP of 61.68, 54 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for octadecakis(triphenylsulfanium);hexastiborate is sourced from PubChem (CID 158415620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).