methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))

C60H60N4Ni4O12 — CID 139177480

IUPACmethanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
SMILESCO.CO.CO.CO.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C\c2ccccc2[O-])c1.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/4C14H13NO2.4CH4O.4Ni/c4*1-10-6-7-14(17)12(8-10)15-9-11-4-2-3-5-13(11)16;4*1-2;;;;/h4*2-9,16-17H,1H3;4*2H,1H3;;;;/q;;;;;;;;4*+2/p-8/b3*15-9+;15-9-;;;;;;;;
InChIKeyHXYNKYDTUNESQL-ZPWCKTBPSA-F
MW1263.93 g/mol
LogP6.00
Rot. Bonds8

About methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))

methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)) (PubChem CID 139177480) has the molecular formula C60H60N4Ni4O12 and a molecular weight of 1263.93 g/mol. Its IUPAC name is methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)).

Molecular Properties

Compound Namemethanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
PubChem CID139177480
Molecular FormulaC60H60N4Ni4O12
Molecular Weight1263.93 g/mol
Exact Mass1260.16
IUPAC Namemethanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
SMILESCO.CO.CO.CO.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C\c2ccccc2[O-])c1.[Ni+2].[Ni+2].[Ni+2].[Ni+2]
InChIInChI=1S/4C14H13NO2.4CH4O.4Ni/c4*1-10-6-7-14(17)12(8-10)15-9-11-4-2-3-5-13(11)16;4*1-2;;;;/h4*2-9,16-17H,1H3;4*2H,1H3;;;;/q;;;;;;;;4*+2/p-8/b3*15-9+;15-9-;;;;;;;;
InChIKeyHXYNKYDTUNESQL-ZPWCKTBPSA-F
XLogP6.00
TPSA314.84 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.93
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 101450590
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
CID 139078092
zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
CID 139175016
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580
5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
CID 23631665
cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate
CID 58233243

Frequently Asked Questions

What is the IUPAC name of methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))?
The IUPAC name of methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)) (CID 139177480) is methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)).
What is the SMILES notation for methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))?
The canonical SMILES for methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)) is CO.CO.CO.CO.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C/c2ccccc2[O-])c1.Cc1ccc([O-])c(/N=C\c2ccccc2[O-])c1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].
What is the InChIKey of methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))?
The InChIKey is HXYNKYDTUNESQL-ZPWCKTBPSA-F. The full InChI is InChI=1S/4C14H13NO2.4CH4O.4Ni/c4*1-10-6-7-14(17)12(8-10)15-9-11-4-2-3-5-13(11)16;4*1-2;;;;/h4*2-9,16-17H,1H3;4*2H,1H3;;;;/q;;;;;;;;4*+2/p-8/b3*15-9+;15-9-;;;;;;;;.
What are the key properties of methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))?
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)) has a molecular weight of 1263.93 g/mol, XLogP of 6.00, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+)) is sourced from PubChem (CID 139177480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).