hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate

C98H88Cl6Hg3N28O24 — CID 139152820

About hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate

hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate (PubChem CID 139152820) has the molecular formula C98H88Cl6Hg3N28O24 and a molecular weight of 2856.44 g/mol. Its IUPAC name is hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate.

Molecular Properties

• Compound Name: hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate
• PubChem CID: 139152820
• Molecular Formula: C98H88Cl6Hg3N28O24
• Molecular Weight: 2856.44 g/mol
• Exact Mass: 2856.38
• IUPAC Name: hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate
• SMILES: CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Hg+2].[Hg+2].[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5cccc(-c6ccn(Cc7ccc(Cn8ccc(-c9ccccn9)n8)cc7)n6)n5)n4)cc3)n2)nc1.c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5cccc(-c6ccn(Cc7ccc(Cn8ccc(-c9ccccn9)n8)cc7)n6)n5)n4)cc3)n2)nc1
• InChI: InChI=1S/2C43H35N11.6C2H3N.6ClHO4.3Hg/c2*1-3-22-44-36(6-1)40-18-24-51(47-40)28-32-10-14-34(15-11-32)30-53-26-20-42(49-53)38-8-5-9-39(46-38)43-21-27-54(50-43)31-35-16-12-33(13-17-35)29-52-25-19-41(48-52)37-7-2-4-23-45-37;6*1-2-3;6*2-1(3,4)5;;;/h2*1-27H,28-31H2;6*1H3;6*(H,2,3,4,5);;;/q;;;;;;;;;;;;;;3*+2/p-6
• InChIKey: QFJCNXPNGLDJDL-UHFFFAOYSA-H
• XLogP: -10.33
• TPSA: 916.08 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2856.44
LogP ≤ 5	-10.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate?

The IUPAC name of hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate (CID 139152820) is hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate.

What is the SMILES notation for hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate?

The canonical SMILES for hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.[Hg+2].[Hg+2].[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5cccc(-c6ccn(Cc7ccc(Cn8ccc(-c9ccccn9)n8)cc7)n6)n5)n4)cc3)n2)nc1.c1ccc(-c2ccn(Cc3ccc(Cn4ccc(-c5cccc(-c6ccn(Cc7ccc(Cn8ccc(-c9ccccn9)n8)cc7)n6)n5)n4)cc3)n2)nc1.

What is the InChIKey of hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate?

The InChIKey is QFJCNXPNGLDJDL-UHFFFAOYSA-H. The full InChI is InChI=1S/2C43H35N11.6C2H3N.6ClHO4.3Hg/c2*1-3-22-44-36(6-1)40-18-24-51(47-40)28-32-10-14-34(15-11-32)30-53-26-20-42(49-53)38-8-5-9-39(46-38)43-21-27-54(50-43)31-35-16-12-33(13-17-35)29-52-25-19-41(48-52)37-7-2-4-23-45-37;6*1-2-3;6*2-1(3,4)5;;;/h2*1-27H,28-31H2;6*1H3;6*(H,2,3,4,5);;;/q;;;;;;;;;;;;;;3*+2/p-6.

What are the key properties of hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate?

hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate has a molecular weight of 2856.44 g/mol, XLogP of -10.33, 24 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for hexakis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);tris(mercury(2+));hexaperchlorate is sourced from PubChem (CID 139152820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).