copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)

C36H28CuN6O2 — CID 46933904

IUPACcopper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1
InChIInChI=1S/2C18H15N3O.Cu/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;/h2*1-14,22H;/q;;+2/p-2/b2*20-14+;
InChIKeyHRHSCWNVPXMDAL-CIAYGUEOSA-L
MW640.21 g/mol
LogP6.65
Rot. Bonds8

About copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)

copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate) (PubChem CID 46933904) has the molecular formula C36H28CuN6O2 and a molecular weight of 640.21 g/mol. Its IUPAC name is copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate).

Molecular Properties

Compound Namecopper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)
PubChem CID46933904
Molecular FormulaC36H28CuN6O2
Molecular Weight640.21 g/mol
Exact Mass639.16
IUPAC Namecopper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1
InChIInChI=1S/2C18H15N3O.Cu/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;/h2*1-14,22H;/q;;+2/p-2/b2*20-14+;
InChIKeyHRHSCWNVPXMDAL-CIAYGUEOSA-L
XLogP6.65
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.21
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
Bis{2-[(2-pyridyl)iminomethyl]phenolato}copper(II)
CID 139077095
dicopper;bis(dichloromethane);bis(2-[[6-[(E)-(2-oxidophenyl)methylideneamino]-2-pyridinyl]iminomethyl]phenolate)
CID 139128313
2-(2-Oxidophenyl)phenolate;bis(phenyl(pyridin-2-yl)diazene);ruthenium(2+)
CID 139141168
2-[(3S)-2-(2-hydroxyphenyl)-3-methoxy-1,4-dipyridin-2-yl-3H-1,2,4,5-tetrazin-6-yl]phenol
CID 139161129
manganese(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 139161130
dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate
CID 139192288
Lambda-bis[N-2-(pyridyl)salicylaldiminato-kappa^2^N,O]zinc(II)
CID 139204853
copper;bis(2-[(E)-pyridin-2-yliminomethyl]phenol)
CID 139238731
Cobalt(2+);bis(2-[(4-methylphenyl)iminomethyl]phenolate);bis(pyridine)
CID 168344994
2-[(4-Pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 760574

Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)?
The IUPAC name of copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate) (CID 46933904) is copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate).
What is the SMILES notation for copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)?
The canonical SMILES for copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate) is [Cu+2].[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.[O-]c1ccccc1/C=N/N(c1ccccc1)c1ccccn1.
What is the InChIKey of copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)?
The InChIKey is HRHSCWNVPXMDAL-CIAYGUEOSA-L. The full InChI is InChI=1S/2C18H15N3O.Cu/c2*22-17-11-5-4-8-15(17)14-20-21(16-9-2-1-3-10-16)18-12-6-7-13-19-18;/h2*1-14,22H;/q;;+2/p-2/b2*20-14+;.
What are the key properties of copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate)?
copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate) has a molecular weight of 640.21 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate) is sourced from PubChem (CID 46933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).