octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate

C138H156Ag8B8F32N54O12 — CID 139131574

About octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate

octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate (PubChem CID 139131574) has the molecular formula C138H156Ag8B8F32N54O12 and a molecular weight of 4320.51 g/mol. Its IUPAC name is octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate.

Molecular Properties

• Compound Name: octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate
• PubChem CID: 139131574
• Molecular Formula: C138H156Ag8B8F32N54O12
• Molecular Weight: 4320.51 g/mol
• Exact Mass: 4312.59
• IUPAC Name: octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate
• SMILES: CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1
• InChI: InChI=1S/3C42H46N16O4.6C2H3N.8Ag.8BF4/c3*1-9-43-51(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;6*1-2-3;;;;;;;;;8*2-1(3,4)5/h3*1-26,39-42H,27-34H2;6*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;8*+1;8*-1
• InChIKey: LSIHMTZFAWZAMK-UHFFFAOYSA-N
• XLogP: 26.50
• TPSA: 681.18 Ų
• H-Bond Acceptors: 66
• Rotatable Bonds: 72
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4320.51
LogP ≤ 5	26.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate?

The IUPAC name of octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate (CID 139131574) is octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate.

What is the SMILES notation for octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate?

The canonical SMILES for octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.c1cnn(C(COCc2cc(COCC(n3cccn3)n3cccn3)c(COCC(n3cccn3)n3cccn3)cc2COCC(n2cccn2)n2cccn2)n2cccn2)c1.

What is the InChIKey of octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate?

The InChIKey is LSIHMTZFAWZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H46N16O4.6C2H3N.8Ag.8BF4/c3*1-9-43-51(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;6*1-2-3;;;;;;;;;8*2-1(3,4)5/h3*1-26,39-42H,27-34H2;6*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;8*+1;8*-1.

What are the key properties of octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate?

octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate has a molecular weight of 4320.51 g/mol, XLogP of 26.50, 72 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for octasilver;hexakis(acetonitrile);tris(1-[1-pyrazol-1-yl-2-[[2,4,5-tris[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole);octatetrafluoroborate is sourced from PubChem (CID 139131574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).