bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)

C92H76Co5N20O12 — CID 139043809

About bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)

bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine) (PubChem CID 139043809) has the molecular formula C92H76Co5N20O12 and a molecular weight of 1948.41 g/mol. Its IUPAC name is bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine).

Molecular Properties

• Compound Name: bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
• PubChem CID: 139043809
• Molecular Formula: C92H76Co5N20O12
• Molecular Weight: 1948.41 g/mol
• Exact Mass: 1947.26
• IUPAC Name: bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
• SMILES: [Co+2].[Co+2].[Co+2].[Co+3].[Co+3].[O-]C(=N\N=C(/[O-])c1ccccc1[O-])/C([O-])=N\N=C(/[O-])c1ccccc1[O-].[O-]C(=N\N=C(/[O-])c1ccccc1[O-])/C([O-])=N\N=C(/[O-])c1ccccc1[O-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C16H14N4O6.12C5H5N.5Co/c2*21-11-7-3-1-5-9(11)13(23)17-19-15(25)16(26)20-18-14(24)10-6-2-4-8-12(10)22;12*1-2-4-6-5-3-1;;;;;/h2*1-8,21-22H,(H,17,23)(H,18,24)(H,19,25)(H,20,26);12*1-5H;;;;;/q;;;;;;;;;;;;;;3*+2;2*+3/p-12
• InChIKey: WAXFYDWWWMQUPP-UHFFFAOYSA-B
• XLogP: 5.16
• TPSA: 530.28 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 8
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.41
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

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 bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)?

The IUPAC name of bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine) (CID 139043809) is bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine).

What is the SMILES notation for bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)?

The canonical SMILES for bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine) is [Co+2].[Co+2].[Co+2].[Co+3].[Co+3].[O-]C(=N\N=C(/[O-])c1ccccc1[O-])/C([O-])=N\N=C(/[O-])c1ccccc1[O-].[O-]C(=N\N=C(/[O-])c1ccccc1[O-])/C([O-])=N\N=C(/[O-])c1ccccc1[O-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)?

The InChIKey is WAXFYDWWWMQUPP-UHFFFAOYSA-B. The full InChI is InChI=1S/2C16H14N4O6.12C5H5N.5Co/c2*21-11-7-3-1-5-9(11)13(23)17-19-15(25)16(26)20-18-14(24)10-6-2-4-8-12(10)22;12*1-2-4-6-5-3-1;;;;;/h2*1-8,21-22H,(H,17,23)(H,18,24)(H,19,25)(H,20,26);12*1-5H;;;;;/q;;;;;;;;;;;;;;3*+2;2*+3/p-12.

What are the key properties of bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)?

bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine) has a molecular weight of 1948.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine) is sourced from PubChem (CID 139043809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).