disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)

C26H16Ag2F6N8O6S2 — CID 139161027

IUPACdisilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/4C6H4N2.2CHF3O3S.2Ag/c4*7-5-6-1-3-8-4-2-6;2*2-1(3,4)8(5,6)7;;/h4*1-4H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyCYFOZEHWOANJND-UHFFFAOYSA-L
MW930.32 g/mol
LogP3.91
Rot. Bonds

About disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)

disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate) (PubChem CID 139161027) has the molecular formula C26H16Ag2F6N8O6S2 and a molecular weight of 930.32 g/mol. Its IUPAC name is disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)
PubChem CID139161027
Molecular FormulaC26H16Ag2F6N8O6S2
Molecular Weight930.32 g/mol
Exact Mass927.86
IUPAC Namedisilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/4C6H4N2.2CHF3O3S.2Ag/c4*7-5-6-1-3-8-4-2-6;2*2-1(3,4)8(5,6)7;;/h4*1-4H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2
InChIKeyCYFOZEHWOANJND-UHFFFAOYSA-L
XLogP3.91
TPSA261.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms50
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate) (CID 139161027) is disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate) is N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.N#Cc1ccncc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)?
The InChIKey is CYFOZEHWOANJND-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6H4N2.2CHF3O3S.2Ag/c4*7-5-6-1-3-8-4-2-6;2*2-1(3,4)8(5,6)7;;/h4*1-4H;2*(H,5,6,7);;/q;;;;;;2*+1/p-2.
What are the key properties of disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate)?
disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate) has a molecular weight of 930.32 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(pyridine-4-carbonitrile);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139161027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).