bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane

C20H15AuF6NO4PS2 — CID 12002751

IUPACbis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2F6NO4S2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-15H;;/q;-1;+1
InChIKeyGJWZOHAPYGHXHP-UHFFFAOYSA-N
MW739.41 g/mol
LogP4.50
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane

bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane (PubChem CID 12002751) has the molecular formula C20H15AuF6NO4PS2 and a molecular weight of 739.41 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane
PubChem CID12002751
Molecular FormulaC20H15AuF6NO4PS2
Molecular Weight739.41 g/mol
Exact Mass738.97
IUPAC Namebis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2F6NO4S2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-15H;;/q;-1;+1
InChIKeyGJWZOHAPYGHXHP-UHFFFAOYSA-N
XLogP4.50
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500739.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane 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 bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane (CID 12002751) is bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane?
The InChIKey is GJWZOHAPYGHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C2F6NO4S2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-15H;;/q;-1;+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane?
bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane has a molecular weight of 739.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane is sourced from PubChem (CID 12002751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).