cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium

C96H94Co4N7O12 — CID 139143054

IUPACcobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium
SMILESCC[NH+](CC)CC.[Co+2].[Co+3].[Co+3].[Co+3].[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C\c1ccccc1[O-])c1ccccc1
InChIInChI=1S/6C15H14NO2.C6H15N.4Co/c6*17-11-14(12-6-2-1-3-7-12)16-10-13-8-4-5-9-15(13)18;1-4-7(5-2)6-3;;;;/h6*1-10,14,18H,11H2;4-6H2,1-3H3;;;;/q6*-1;;+2;3*+3/p-5/b5*16-10+;16-10-;;;;;/t6*14-;;;;;/m000000...../s1
InChIKeyPQAFKYFLWFJCAM-TXEPNVJQSA-I
MW1773.58 g/mol
LogP7.61
Rot. Bonds27

About cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium

cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium (PubChem CID 139143054) has the molecular formula C96H94Co4N7O12 and a molecular weight of 1773.58 g/mol. Its IUPAC name is cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium.

Molecular Properties

Compound Namecobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium
PubChem CID139143054
Molecular FormulaC96H94Co4N7O12
Molecular Weight1773.58 g/mol
Exact Mass1772.43
IUPAC Namecobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium
SMILESCC[NH+](CC)CC.[Co+2].[Co+3].[Co+3].[Co+3].[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C\c1ccccc1[O-])c1ccccc1
InChIInChI=1S/6C15H14NO2.C6H15N.4Co/c6*17-11-14(12-6-2-1-3-7-12)16-10-13-8-4-5-9-15(13)18;1-4-7(5-2)6-3;;;;/h6*1-10,14,18H,11H2;4-6H2,1-3H3;;;;/q6*-1;;+2;3*+3/p-5/b5*16-10+;16-10-;;;;;/t6*14-;;;;;/m000000...../s1
InChIKeyPQAFKYFLWFJCAM-TXEPNVJQSA-I
XLogP7.61
TPSA355.32 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.58
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium with MolForge

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Related Compounds

potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
CID 139247890
tetrakis(iron(3+));hexakis(4-nitro-2-[[(1S)-2-oxido-1-phenylethyl]iminomethyl]phenolate)
CID 139185610
sodium 2-(propyliminomethyl)phenolate
CID 102119842
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
CID 57341344
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
copper bis(2-[(4-phenyldiazenylphenyl)iminomethyl]phenolate)
CID 139172748

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium?
The IUPAC name of cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium (CID 139143054) is cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium.
What is the SMILES notation for cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium?
The canonical SMILES for cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium is CC[NH+](CC)CC.[Co+2].[Co+3].[Co+3].[Co+3].[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]C[C@H](/N=C\c1ccccc1[O-])c1ccccc1.
What is the InChIKey of cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium?
The InChIKey is PQAFKYFLWFJCAM-TXEPNVJQSA-I. The full InChI is InChI=1S/6C15H14NO2.C6H15N.4Co/c6*17-11-14(12-6-2-1-3-7-12)16-10-13-8-4-5-9-15(13)18;1-4-7(5-2)6-3;;;;/h6*1-10,14,18H,11H2;4-6H2,1-3H3;;;;/q6*-1;;+2;3*+3/p-5/b5*16-10+;16-10-;;;;;/t6*14-;;;;;/m000000...../s1.
What are the key properties of cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium?
cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium has a molecular weight of 1773.58 g/mol, XLogP of 7.61, 27 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium is sourced from PubChem (CID 139143054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).