disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate

C48H52Ag2B2F8N16O4 — CID 139126383

About disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate

disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate (PubChem CID 139126383) has the molecular formula C48H52Ag2B2F8N16O4 and a molecular weight of 1306.40 g/mol. Its IUPAC name is disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate.

Molecular Properties

• Compound Name: disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate
• PubChem CID: 139126383
• Molecular Formula: C48H52Ag2B2F8N16O4
• Molecular Weight: 1306.40 g/mol
• Exact Mass: 1304.25
• IUPAC Name: disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1.c1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1
• InChI: InChI=1S/2C24H26N8O2.2Ag.2BF4/c2*1-6-21(17-33-19-23(29-12-2-8-25-29)30-13-3-9-26-30)16-22(7-1)18-34-20-24(31-14-4-10-27-31)32-15-5-11-28-32;;;2*2-1(3,4)5/h2*1-16,23-24H,17-20H2;;;;/q;;2*+1;2*-1
• InChIKey: IQIKZPCIGOBYAU-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 179.48 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.40
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate?

The IUPAC name of disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate (CID 139126383) is disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate.

What is the SMILES notation for disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate?

The canonical SMILES for disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1.c1cc(COCC(n2cccn2)n2cccn2)cc(COCC(n2cccn2)n2cccn2)c1.

What is the InChIKey of disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate?

The InChIKey is IQIKZPCIGOBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N8O2.2Ag.2BF4/c2*1-6-21(17-33-19-23(29-12-2-8-25-29)30-13-3-9-26-30)16-22(7-1)18-34-20-24(31-14-4-10-27-31)32-15-5-11-28-32;;;2*2-1(3,4)5/h2*1-16,23-24H,17-20H2;;;;/q;;2*+1;2*-1.

What are the key properties of disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate?

disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate has a molecular weight of 1306.40 g/mol, XLogP of 8.60, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);ditetrafluoroborate is sourced from PubChem (CID 139126383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).