tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate

C52H54Cl4Cu4N12O20 — CID 139060981

About tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate

tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate (PubChem CID 139060981) has the molecular formula C52H54Cl4Cu4N12O20 and a molecular weight of 1563.06 g/mol. Its IUPAC name is tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate.

Molecular Properties

• Compound Name: tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate
• PubChem CID: 139060981
• Molecular Formula: C52H54Cl4Cu4N12O20
• Molecular Weight: 1563.06 g/mol
• Exact Mass: 1557.95
• IUPAC Name: tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate
• SMILES: [Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]CCNCCC/N=C([O-])/C([O-])=N/CCCNCC[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(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H24N4O4.4C10H8N2.4ClHO4.4Cu/c17-9-7-13-3-1-5-15-11(19)12(20)16-6-2-4-14-8-10-18;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1(3,4)5;;;;/h13-14H,1-10H2,(H,15,19)(H,16,20);4*1-8H;4*(H,2,3,4,5);;;;/q-2;;;;;;;;;4*+2/p-6
• InChIKey: VFDIVOYWMPLIOQ-UHFFFAOYSA-H
• XLogP: -15.28
• TPSA: 613.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1563.06
LogP ≤ 5	-15.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate?

The IUPAC name of tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate (CID 139060981) is tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate.

What is the SMILES notation for tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate?

The canonical SMILES for tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate is [Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]CCNCCC/N=C([O-])/C([O-])=N/CCCNCC[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(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate?

The InChIKey is VFDIVOYWMPLIOQ-UHFFFAOYSA-H. The full InChI is InChI=1S/C12H24N4O4.4C10H8N2.4ClHO4.4Cu/c17-9-7-13-3-1-5-15-11(19)12(20)16-6-2-4-14-8-10-18;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1(3,4)5;;;;/h13-14H,1-10H2,(H,15,19)(H,16,20);4*1-8H;4*(H,2,3,4,5);;;;/q-2;;;;;;;;;4*+2/p-6.

What are the key properties of tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate?

tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate has a molecular weight of 1563.06 g/mol, XLogP of -15.28, 16 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tetracopper;N,N'-bis[3-(2-oxidoethylamino)propyl]ethanediimidate;tetrakis(2-pyridin-2-ylpyridine);tetraperchlorate is sourced from PubChem (CID 139060981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).