disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate

C66H54Ag2B2F8N18O2 — CID 139153435

About disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate

disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate (PubChem CID 139153435) has the molecular formula C66H54Ag2B2F8N18O2 and a molecular weight of 1520.63 g/mol. Its IUPAC name is disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate.

Molecular Properties

• Compound Name: disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate
• PubChem CID: 139153435
• Molecular Formula: C66H54Ag2B2F8N18O2
• Molecular Weight: 1520.63 g/mol
• Exact Mass: 1518.28
• IUPAC Name: disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1ccc(-c2cc(-c3ccc(COCC(n4cccn4)(n4cccn4)n4cccn4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(COCC(n4cccn4)(n4cccn4)n4cccn4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C33H27N9O.2Ag.2BF4/c2*1-3-14-34-29(8-1)31-22-28(23-32(39-31)30-9-2-4-15-35-30)27-12-10-26(11-13-27)24-43-25-33(40-19-5-16-36-40,41-20-6-17-37-41)42-21-7-18-38-42;;;2*2-1(3,4)5/h2*1-23H,24-25H2;;;;/q;;2*+1;2*-1
• InChIKey: XYPOCRJKPJTUPL-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 202.72 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.63
LogP ≤ 5	13.37
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(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate?

The IUPAC name of disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate (CID 139153435) is disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate.

What is the SMILES notation for disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate?

The canonical SMILES for disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1ccc(-c2cc(-c3ccc(COCC(n4cccn4)(n4cccn4)n4cccn4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(COCC(n4cccn4)(n4cccn4)n4cccn4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate?

The InChIKey is XYPOCRJKPJTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H27N9O.2Ag.2BF4/c2*1-3-14-34-29(8-1)31-22-28(23-32(39-31)30-9-2-4-15-35-30)27-12-10-26(11-13-27)24-43-25-33(40-19-5-16-36-40,41-20-6-17-37-41)42-21-7-18-38-42;;;2*2-1(3,4)5/h2*1-23H,24-25H2;;;;/q;;2*+1;2*-1.

What are the key properties of disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate?

disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate has a molecular weight of 1520.63 g/mol, XLogP of 13.37, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(2,6-dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine);ditetrafluoroborate is sourced from PubChem (CID 139153435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).