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)

C50H59Ag2F6N17O11S2 — CID 139131576

About 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)

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) (PubChem CID 139131576) has the molecular formula C50H59Ag2F6N17O11S2 and a molecular weight of 1467.99 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 139131576
• Molecular Formula: C50H59Ag2F6N17O11S2
• Molecular Weight: 1467.99 g/mol
• Exact Mass: 1465.20
• IUPAC Name: 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)
• SMILES: CC#N.CCOCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1
• InChI: InChI=1S/C42H46N16O4.C4H10O.C2H3N.2CHF3O3S.2Ag/c1-9-43-51(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;1-3-5-4-2;1-2-3;2*2-1(3,4)8(5,6)7;;/h1-26,39-42H,27-34H2;3-4H2,1-2H3;1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2
• InChIKey: PWZXUTQQTAAVOQ-UHFFFAOYSA-L
• XLogP: 5.98
• TPSA: 326.90 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.99
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

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

What is the InChIKey of 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)?

The InChIKey is PWZXUTQQTAAVOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H46N16O4.C4H10O.C2H3N.2CHF3O3S.2Ag/c1-9-43-51(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;1-3-5-4-2;1-2-3;2*2-1(3,4)8(5,6)7;;/h1-26,39-42H,27-34H2;3-4H2,1-2H3;1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2.

What are the key properties of 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)?

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) has a molecular weight of 1467.99 g/mol, XLogP of 5.98, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 139131576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).