silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate

C82H62AgAu6Cl8F6N12PS6 — CID 139123314

IUPACsilver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate
SMILESClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ag+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1
InChIInChI=1S/6C13H9N2S.4CH2Cl2.Ag.6Au.F6P/c6*1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13;4*2-1-3;;;;;;;;1-7(2,3,4,5)6/h6*1-9H;4*1H2;;;;;;;;/q6*-1;;;;;7*+1;-1
InChIKeyQWFRDMJQCHDNJV-UHFFFAOYSA-N
MW3126.14 g/mol
LogP29.66
Rot. Bonds12

About silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate

silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate (PubChem CID 139123314) has the molecular formula C82H62AgAu6Cl8F6N12PS6 and a molecular weight of 3126.14 g/mol. Its IUPAC name is silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate.

Molecular Properties

Compound Namesilver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate
PubChem CID139123314
Molecular FormulaC82H62AgAu6Cl8F6N12PS6
Molecular Weight3126.14 g/mol
Exact Mass3119.77
IUPAC Namesilver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate
SMILESClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ag+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1
InChIInChI=1S/6C13H9N2S.4CH2Cl2.Ag.6Au.F6P/c6*1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13;4*2-1-3;;;;;;;;1-7(2,3,4,5)6/h6*1-9H;4*1H2;;;;;;;;/q6*-1;;;;;7*+1;-1
InChIKeyQWFRDMJQCHDNJV-UHFFFAOYSA-N
XLogP29.66
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.14
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate?
The IUPAC name of silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate (CID 139123314) is silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate.
What is the SMILES notation for silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate?
The canonical SMILES for silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate is ClCCl.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ag+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1.c1ccc(-c2cc(-c3cccs3)n[n-]2)cc1.
What is the InChIKey of silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate?
The InChIKey is QWFRDMJQCHDNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H9N2S.4CH2Cl2.Ag.6Au.F6P/c6*1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13;4*2-1-3;;;;;;;;1-7(2,3,4,5)6/h6*1-9H;4*1H2;;;;;;;;/q6*-1;;;;;7*+1;-1.
What are the key properties of silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate?
silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate has a molecular weight of 3126.14 g/mol, XLogP of 29.66, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for silver;tetrakis(dichloromethane);hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide);hexafluorophosphate is sourced from PubChem (CID 139123314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).