dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine

C40H32Cu2N6O6 — CID 139177739

IUPACdicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].COc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Cu+2].[Cu+2].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C15H14N2O3.C10H8N2.2Cu/c2*1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h2*2-10,18H,1H3,(H,17,19);1-8H;;/q;;;2*+2/p-4/b2*16-10+;;;
InChIKeyJQUMOOHQLROXGH-MWVJFJQUSA-J
MW819.82 g/mol
LogP3.96
Rot. Bonds9

About dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine

dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine (PubChem CID 139177739) has the molecular formula C40H32Cu2N6O6 and a molecular weight of 819.82 g/mol. Its IUPAC name is dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namedicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine
PubChem CID139177739
Molecular FormulaC40H32Cu2N6O6
Molecular Weight819.82 g/mol
Exact Mass818.10
IUPAC Namedicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].COc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Cu+2].[Cu+2].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C15H14N2O3.C10H8N2.2Cu/c2*1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h2*2-10,18H,1H3,(H,17,19);1-8H;;/q;;;2*+2/p-4/b2*16-10+;;;
InChIKeyJQUMOOHQLROXGH-MWVJFJQUSA-J
XLogP3.96
TPSA185.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.82
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

Analyze dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine?
The IUPAC name of dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine (CID 139177739) is dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine.
What is the SMILES notation for dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine?
The canonical SMILES for dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine is COc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].COc1cccc(/C=N/N=C(\[O-])c2ccccc2)c1[O-].[Cu+2].[Cu+2].c1cc(-c2ccncc2)ccn1.
What is the InChIKey of dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine?
The InChIKey is JQUMOOHQLROXGH-MWVJFJQUSA-J. The full InChI is InChI=1S/2C15H14N2O3.C10H8N2.2Cu/c2*1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h2*2-10,18H,1H3,(H,17,19);1-8H;;/q;;;2*+2/p-4/b2*16-10+;;;.
What are the key properties of dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine?
dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine has a molecular weight of 819.82 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine is sourced from PubChem (CID 139177739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).