disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)

C66H70Ag2F6N18O8S2 — CID 139146587

IUPACdisilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
SMILESCC#N.CC#N.CCOCC.CCOCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1.c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/2C26H22N8.2C4H10O.2C2H3N.2CHF3O3S.2Ag/c2*1-6-23(20-24(7-1)26(33-18-4-14-29-33)34-19-5-15-30-34)21-8-10-22(11-9-21)25(31-16-2-12-27-31)32-17-3-13-28-32;2*1-3-5-4-2;2*1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*3-4H2,1-2H3;2*1H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2
InChIKeyYISFSJILOOGNOV-UHFFFAOYSA-L
MW1637.26 g/mol
LogP11.90
Rot. Bonds18

About disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)

disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate) (PubChem CID 139146587) has the molecular formula C66H70Ag2F6N18O8S2 and a molecular weight of 1637.26 g/mol. Its IUPAC name is disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
PubChem CID139146587
Molecular FormulaC66H70Ag2F6N18O8S2
Molecular Weight1637.26 g/mol
Exact Mass1634.31
IUPAC Namedisilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)
SMILESCC#N.CC#N.CCOCC.CCOCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1.c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/2C26H22N8.2C4H10O.2C2H3N.2CHF3O3S.2Ag/c2*1-6-23(20-24(7-1)26(33-18-4-14-29-33)34-19-5-15-30-34)21-8-10-22(11-9-21)25(31-16-2-12-27-31)32-17-3-13-28-32;2*1-3-5-4-2;2*1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*3-4H2,1-2H3;2*1H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2
InChIKeyYISFSJILOOGNOV-UHFFFAOYSA-L
XLogP11.90
TPSA323.00 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.26
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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Related Compounds

Disilver;acetonitrile;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);bis(trifluoromethanesulfonate)
CID 139126382
Tetrasilver;tetrakis(acetonitrile);bis(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);tetrakis(trifluoromethanesulfonate)
CID 139131575
Disilver;bis(1-[[2-[2-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);bis(trifluoromethanesulfonate)
CID 139146586
Disilver;bis(acetonitrile);bis([3-[di(pyrazol-1-yl)methyl]phenyl]-bis(4-methylphenyl)phosphanium);bis(trifluoromethanesulfonate)
CID 168338222
Disilver;acetonitrile;ethoxyethane;1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole;bis(trifluoromethanesulfonate)
CID 139131576
Disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);oxolane;bis(trifluoromethanesulfonate)
CID 139147451

Frequently Asked Questions

What is the IUPAC name of disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate) (CID 139146587) is disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate) is CC#N.CC#N.CCOCC.CCOCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1.c1cc(-c2ccc(C(n3cccn3)n3cccn3)cc2)cc(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)?
The InChIKey is YISFSJILOOGNOV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H22N8.2C4H10O.2C2H3N.2CHF3O3S.2Ag/c2*1-6-23(20-24(7-1)26(33-18-4-14-29-33)34-19-5-15-30-34)21-8-10-22(11-9-21)25(31-16-2-12-27-31)32-17-3-13-28-32;2*1-3-5-4-2;2*1-2-3;2*2-1(3,4)8(5,6)7;;/h2*1-20,25-26H;2*3-4H2,1-2H3;2*1H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2.
What are the key properties of disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate)?
disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate) has a molecular weight of 1637.26 g/mol, XLogP of 11.90, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(acetonitrile);bis(1-[[3-[4-[di(pyrazol-1-yl)methyl]phenyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);ethoxyethane;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139146587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).