chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate

C60H52Cl16N16Ni2O16 — CID 139068546

About chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate

chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate (PubChem CID 139068546) has the molecular formula C60H52Cl16N16Ni2O16 and a molecular weight of 1937.81 g/mol. Its IUPAC name is chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate.

Molecular Properties

• Compound Name: chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate
• PubChem CID: 139068546
• Molecular Formula: C60H52Cl16N16Ni2O16
• Molecular Weight: 1937.81 g/mol
• Exact Mass: 1927.75
• IUPAC Name: chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[Ni+2].[Ni+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-].c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/4C14H12N4.4CHCl3.4ClHO4.2Ni/c4*1-3-8-15-12(5-1)11-18-10-7-14(17-18)13-6-2-4-9-16-13;4*2-1(3)4;4*2-1(3,4)5;;/h4*1-10H,11H2;4*1H;4*(H,2,3,4,5);;/q;;;;;;;;;;;;2*+2/p-4
• InChIKey: ORSSFPPPCLFVSB-UHFFFAOYSA-J
• XLogP: -1.53
• TPSA: 543.36 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1937.81
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate?

The IUPAC name of chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate (CID 139068546) is chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate.

What is the SMILES notation for chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate?

The canonical SMILES for chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate is ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[Ni+2].[Ni+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-].c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.c1ccc(Cn2ccc(-c3ccccn3)n2)nc1.

What is the InChIKey of chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate?

The InChIKey is ORSSFPPPCLFVSB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C14H12N4.4CHCl3.4ClHO4.2Ni/c4*1-3-8-15-12(5-1)11-18-10-7-14(17-18)13-6-2-4-9-16-13;4*2-1(3)4;4*2-1(3,4)5;;/h4*1-10H,11H2;4*1H;4*(H,2,3,4,5);;/q;;;;;;;;;;;;2*+2/p-4.

What are the key properties of chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate?

chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate has a molecular weight of 1937.81 g/mol, XLogP of -1.53, 12 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;bis(nickel(2+));tetrakis(2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine);tetraperchlorate is sourced from PubChem (CID 139068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).