copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)

C26H20CuN6O2 — CID 139085772

IUPACcopper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccncc1)c1ccccc1.[O-]/C(=N\N=C\c1ccncc1)c1ccccc1
InChIInChI=1S/2C13H11N3O.Cu/c2*17-13(12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11;/h2*1-10H,(H,16,17);/q;;+2/p-2/b2*15-10+;
InChIKeyJBSWDDCAWYTSTI-ZQSWXEMLSA-L
MW512.03 g/mol
LogP2.44
Rot. Bonds6

About copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)

copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate) (PubChem CID 139085772) has the molecular formula C26H20CuN6O2 and a molecular weight of 512.03 g/mol. Its IUPAC name is copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate).

Molecular Properties

Compound Namecopper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)
PubChem CID139085772
Molecular FormulaC26H20CuN6O2
Molecular Weight512.03 g/mol
Exact Mass511.09
IUPAC Namecopper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)
SMILES[Cu+2].[O-]/C(=N\N=C\c1ccncc1)c1ccccc1.[O-]/C(=N\N=C\c1ccncc1)c1ccccc1
InChIInChI=1S/2C13H11N3O.Cu/c2*17-13(12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11;/h2*1-10H,(H,16,17);/q;;+2/p-2/b2*15-10+;
InChIKeyJBSWDDCAWYTSTI-ZQSWXEMLSA-L
XLogP2.44
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.03
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)?
The IUPAC name of copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate) (CID 139085772) is copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate).
What is the SMILES notation for copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)?
The canonical SMILES for copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate) is [Cu+2].[O-]/C(=N\N=C\c1ccncc1)c1ccccc1.[O-]/C(=N\N=C\c1ccncc1)c1ccccc1.
What is the InChIKey of copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)?
The InChIKey is JBSWDDCAWYTSTI-ZQSWXEMLSA-L. The full InChI is InChI=1S/2C13H11N3O.Cu/c2*17-13(12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11;/h2*1-10H,(H,16,17);/q;;+2/p-2/b2*15-10+;.
What are the key properties of copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate)?
copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate) has a molecular weight of 512.03 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((NZ,Z)-N-(pyridin-4-ylmethylidene)benzenecarbohydrazonate) is sourced from PubChem (CID 139085772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).