disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate

C51H58Ag2B2F8N16O5 — CID 139126378

About disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate

disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate (PubChem CID 139126378) has the molecular formula C51H58Ag2B2F8N16O5 and a molecular weight of 1364.48 g/mol. Its IUPAC name is disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate.

Molecular Properties

• Compound Name: disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate
• PubChem CID: 139126378
• Molecular Formula: C51H58Ag2B2F8N16O5
• Molecular Weight: 1364.48 g/mol
• Exact Mass: 1362.29
• IUPAC Name: disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate
• SMILES: CC(C)=O.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
• InChI: InChI=1S/2C24H26N8O2.C3H6O.2Ag.2BF4/c2*1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-3(2)4;;;2*2-1(3,4)5/h2*1-16,23-24H,17-20H2;1-2H3;;;;/q;;;2*+1;2*-1
• InChIKey: OOUJGUCCACTDCE-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 196.55 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1364.48
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate?

The IUPAC name of disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate (CID 139126378) is disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate.

What is the SMILES notation for disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate?

The canonical SMILES for disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate is CC(C)=O.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.

What is the InChIKey of disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate?

The InChIKey is OOUJGUCCACTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N8O2.C3H6O.2Ag.2BF4/c2*1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-3(2)4;;;2*2-1(3,4)5/h2*1-16,23-24H,17-20H2;1-2H3;;;;/q;;;2*+1;2*-1.

What are the key properties of disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate?

disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate has a molecular weight of 1364.48 g/mol, XLogP of 9.19, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);propan-2-one;ditetrafluoroborate is sourced from PubChem (CID 139126378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).