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

C50H55Ag2F12N17O4P2 — CID 139126377

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

disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate (PubChem CID 139126377) has the molecular formula C50H55Ag2F12N17O4P2 and a molecular weight of 1463.76 g/mol. Its IUPAC name is disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate.

Molecular Properties

• Compound Name: disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate
• PubChem CID: 139126377
• Molecular Formula: C50H55Ag2F12N17O4P2
• Molecular Weight: 1463.76 g/mol
• Exact Mass: 1461.20
• IUPAC Name: disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate
• SMILES: CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(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.C2H3N.2Ag.2F6P/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;1-2-3;;;2*1-7(2,3,4,5)6/h2*1-16,23-24H,17-20H2;1H3;;;;/q;;;2*+1;2*-1
• InChIKey: MIIAFLPBJWFWET-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 203.27 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.76
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate (CID 139126377) is disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate.

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

The canonical SMILES for disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate is CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(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;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate?

The InChIKey is MIIAFLPBJWFWET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N8O2.C2H3N.2Ag.2F6P/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;1-2-3;;;2*1-7(2,3,4,5)6/h2*1-16,23-24H,17-20H2;1H3;;;;/q;;;2*+1;2*-1.

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

disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate has a molecular weight of 1463.76 g/mol, XLogP of 13.29, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;acetonitrile;bis(1-[2-[[3-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole);dihexafluorophosphate is sourced from PubChem (CID 139126377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).