disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate

C48H40Ag2B2F8N12 — CID 139152817

About disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate

disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate (PubChem CID 139152817) has the molecular formula C48H40Ag2B2F8N12 and a molecular weight of 1174.28 g/mol. Its IUPAC name is disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate.

Molecular Properties

• Compound Name: disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate
• PubChem CID: 139152817
• Molecular Formula: C48H40Ag2B2F8N12
• Molecular Weight: 1174.28 g/mol
• Exact Mass: 1172.17
• IUPAC Name: disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5ccccn5)n4)cc3)n2)nc1.c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5ccccn5)n4)cc3)n2)nc1
• InChI: InChI=1S/2C24H20N6.2Ag.2BF4/c2*1-3-13-25-21(5-1)23-11-15-29(27-23)17-19-7-9-20(10-8-19)18-30-16-12-24(28-30)22-6-2-4-14-26-22;;;2*2-1(3,4)5/h2*1-16H,17-18H2;;;;/q;;2*+1;2*-1
• InChIKey: LZLFXYKTCUWGSW-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1174.28
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate?

The IUPAC name of disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate (CID 139152817) is disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate.

What is the SMILES notation for disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate?

The canonical SMILES for disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5ccccn5)n4)cc3)n2)nc1.c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5ccccn5)n4)cc3)n2)nc1.

What is the InChIKey of disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate?

The InChIKey is LZLFXYKTCUWGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N6.2Ag.2BF4/c2*1-3-13-25-21(5-1)23-11-15-29(27-23)17-19-7-9-20(10-8-19)18-30-16-12-24(28-30)22-6-2-4-14-26-22;;;2*2-1(3,4)5/h2*1-16H,17-18H2;;;;/q;;2*+1;2*-1.

What are the key properties of disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate?

disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate has a molecular weight of 1174.28 g/mol, XLogP of 11.20, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;bis(2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);ditetrafluoroborate is sourced from PubChem (CID 139152817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).