dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate

C44H38Cl2N8O10Zn2 — CID 139127859

About dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate

dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate (PubChem CID 139127859) has the molecular formula C44H38Cl2N8O10Zn2 and a molecular weight of 1040.52 g/mol. Its IUPAC name is dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate.

Molecular Properties

• Compound Name: dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate
• PubChem CID: 139127859
• Molecular Formula: C44H38Cl2N8O10Zn2
• Molecular Weight: 1040.52 g/mol
• Exact Mass: 1036.07
• IUPAC Name: dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate
• SMILES: [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[O-]c1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[Zn+2].[Zn+2]
• InChI: InChI=1S/2C22H20N4O.2ClHO4.2Zn/c2*27-21-9-5-6-17-10-11-20(25-22(17)21)16-26(14-18-7-1-3-12-23-18)15-19-8-2-4-13-24-19;2*2-1(3,4)5;;/h2*1-13,27H,14-16H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4
• InChIKey: PIVWZAYDKINAST-UHFFFAOYSA-J
• XLogP: -2.92
• TPSA: 314.42 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.52
LogP ≤ 5	-2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate?

The IUPAC name of dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate (CID 139127859) is dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate.

What is the SMILES notation for dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate?

The canonical SMILES for dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[O-]c1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[Zn+2].[Zn+2].

What is the InChIKey of dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate?

The InChIKey is PIVWZAYDKINAST-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H20N4O.2ClHO4.2Zn/c2*27-21-9-5-6-17-10-11-20(25-22(17)21)16-26(14-18-7-1-3-12-23-18)15-19-8-2-4-13-24-19;2*2-1(3,4)5;;/h2*1-13,27H,14-16H2;2*(H,2,3,4,5);;/q;;;;2*+2/p-4.

What are the key properties of dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate?

dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate has a molecular weight of 1040.52 g/mol, XLogP of -2.92, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate is sourced from PubChem (CID 139127859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).