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)

C96H104Ag4F12N36O20S4 — CID 139131575

About 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)

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) (PubChem CID 139131575) has the molecular formula C96H104Ag4F12N36O20S4 and a molecular weight of 2869.84 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 139131575
• Molecular Formula: C96H104Ag4F12N36O20S4
• Molecular Weight: 2869.84 g/mol
• Exact Mass: 2864.31
• IUPAC Name: 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)
• SMILES: CC#N.CC#N.CC#N.CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1
• InChI: InChI=1S/2C42H46N16O4.4C2H3N.4CHF3O3S.4Ag/c2*1-9-43-51(17-1)39(52-18-2-10-44-52)31-59-27-35-25-37(29-61-33-41(55-21-5-13-47-55)56-22-6-14-48-56)38(30-62-34-42(57-23-7-15-49-57)58-24-8-16-50-58)26-36(35)28-60-32-40(53-19-3-11-45-53)54-20-4-12-46-54;4*1-2-3;4*2-1(3,4)8(5,6)7;;;;/h2*1-26,39-42H,27-34H2;4*1H3;4*(H,5,6,7);;;;/q;;;;;;;;;;4*+1/p-4
• InChIKey: RDGCWCYXMOAHNS-UHFFFAOYSA-J
• XLogP: 10.94
• TPSA: 682.92 Ų
• H-Bond Acceptors: 56
• Rotatable Bonds: 48
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2869.84
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is CC#N.CC#N.CC#N.CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.

What is the InChIKey of 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)?

The InChIKey is RDGCWCYXMOAHNS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C42H46N16O4.4C2H3N.4CHF3O3S.4Ag/c2*1-9-43-51(17-1)39(52-18-2-10-44-52)31-59-27-35-25-37(29-61-33-41(55-21-5-13-47-55)56-22-6-14-48-56)38(30-62-34-42(57-23-7-15-49-57)58-24-8-16-50-58)26-36(35)28-60-32-40(53-19-3-11-45-53)54-20-4-12-46-54;4*1-2-3;4*2-1(3,4)8(5,6)7;;;;/h2*1-26,39-42H,27-34H2;4*1H3;4*(H,5,6,7);;;;/q;;;;;;;;;;4*+1/p-4.

What are the key properties of 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)?

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) has a molecular weight of 2869.84 g/mol, XLogP of 10.94, 48 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 139131575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).