hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)

C92H76Cu6N16O12 — CID 139077598

About hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)

hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine) (PubChem CID 139077598) has the molecular formula C92H76Cu6N16O12 and a molecular weight of 1979.00 g/mol. Its IUPAC name is hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine).

Molecular Properties

• Compound Name: hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)
• PubChem CID: 139077598
• Molecular Formula: C92H76Cu6N16O12
• Molecular Weight: 1979.00 g/mol
• Exact Mass: 1974.16
• IUPAC Name: hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)
• SMILES: C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/4C13H12N2O3.8C5H5N.6Cu/c4*1-8(16)14-15-13(18)11-7-6-9-4-2-3-5-10(9)12(11)17;8*1-2-4-6-5-3-1;;;;;;/h4*2-7,17H,1H3,(H,14,16)(H,15,18);8*1-5H;;;;;;/q;;;;;;;;;;;;6*+2/p-12
• InChIKey: BFTPBVMLUCBOOL-UHFFFAOYSA-B
• XLogP: 7.49
• TPSA: 478.72 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.00
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)?

The IUPAC name of hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine) (CID 139077598) is hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine).

What is the SMILES notation for hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)?

The canonical SMILES for hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine) is C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].C/C([O-])=N/N=C(\[O-])c1ccc2ccccc2c1[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)?

The InChIKey is BFTPBVMLUCBOOL-UHFFFAOYSA-B. The full InChI is InChI=1S/4C13H12N2O3.8C5H5N.6Cu/c4*1-8(16)14-15-13(18)11-7-6-9-4-2-3-5-10(9)12(11)17;8*1-2-4-6-5-3-1;;;;;;/h4*2-7,17H,1H3,(H,14,16)(H,15,18);8*1-5H;;;;;;/q;;;;;;;;;;;;6*+2/p-12.

What are the key properties of hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine)?

hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine) has a molecular weight of 1979.00 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for hexacopper;tetrakis((NZ,2Z)-1-oxido-N-(1-oxidoethylidene)naphthalene-2-carbohydrazonate);octakis(pyridine) is sourced from PubChem (CID 139077598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).