dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)

C44H32Cu2N4O4 — CID 139078158

IUPACdicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)
SMILES[Cu+2].[Cu+2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.c1ccncc1.c1ccncc1
InChIInChI=1S/2C17H13NO2.2C5H5N.2Cu/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;2*1-2-4-6-5-3-1;;/h2*1-11,19-20H;2*1-5H;;/q;;;;2*+2/p-4/b2*18-11+;;;;
InChIKeyFQCZUSKOTXRUSK-FVFCPVATSA-J
MW807.86 g/mol
LogP7.63
Rot. Bonds4

About dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)

dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine) (PubChem CID 139078158) has the molecular formula C44H32Cu2N4O4 and a molecular weight of 807.86 g/mol. Its IUPAC name is dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine).

Molecular Properties

Compound Namedicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)
PubChem CID139078158
Molecular FormulaC44H32Cu2N4O4
Molecular Weight807.86 g/mol
Exact Mass806.10
IUPAC Namedicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)
SMILES[Cu+2].[Cu+2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.c1ccncc1.c1ccncc1
InChIInChI=1S/2C17H13NO2.2C5H5N.2Cu/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;2*1-2-4-6-5-3-1;;/h2*1-11,19-20H;2*1-5H;;/q;;;;2*+2/p-4/b2*18-11+;;;;
InChIKeyFQCZUSKOTXRUSK-FVFCPVATSA-J
XLogP7.63
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.86
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
CID 139049394
copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
CID 139163460
ethanol;bis(holmium(3+));bis(1-[(3-methoxy-2-oxidophenyl)methyliminomethyl]naphthalen-2-olate);pyridine;dinitrate
CID 139169383
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
2-[2-(2-oxidophenyl)iminoethylideneamino]phenolate
CID 101383278
2-[(2-oxidophenyl)iminomethyl]phenolate;platinum(2+);pyridin-4-ylmethanol
CID 10186083
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11285131
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
CID 7065258
naphthalen-1-ol;pyridine
CID 160876082

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)?
The IUPAC name of dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine) (CID 139078158) is dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine).
What is the SMILES notation for dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)?
The canonical SMILES for dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine) is [Cu+2].[Cu+2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)?
The InChIKey is FQCZUSKOTXRUSK-FVFCPVATSA-J. The full InChI is InChI=1S/2C17H13NO2.2C5H5N.2Cu/c2*19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;2*1-2-4-6-5-3-1;;/h2*1-11,19-20H;2*1-5H;;/q;;;;2*+2/p-4/b2*18-11+;;;;.
What are the key properties of dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)?
dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine) has a molecular weight of 807.86 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine) is sourced from PubChem (CID 139078158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).