cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

C32H46CoN2O2 — CID 25209236

IUPACcobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILESCC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;/h15-20,35-36H,13-14H2,1-12H3;/q;+2/p-2/b33-19+,34-20+;
InChIKeyVLCWUBRBUIVTCC-IBHFGPSZSA-L
MW549.67 g/mol
LogP6.56
Rot. Bonds5

About cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 25209236) has the molecular formula C32H46CoN2O2 and a molecular weight of 549.67 g/mol. Its IUPAC name is cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namecobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID25209236
Molecular FormulaC32H46CoN2O2
Molecular Weight549.67 g/mol
Exact Mass549.29
IUPAC Namecobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILESCC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;/h15-20,35-36H,13-14H2,1-12H3;/q;+2/p-2/b33-19+,34-20+;
InChIKeyVLCWUBRBUIVTCC-IBHFGPSZSA-L
XLogP6.56
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aluminum;2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;dioxido(phenyl)phosphanium
CID 101079258
bis(chlorocobalt(2+));3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-1-[3-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate
CID 46201392
2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;oxolane;scandium(3+);tetraphenylboranuide
CID 139151248
calcium;2,4-ditert-butyl-6-[2-(dimethylamino)ethyliminomethyl]phenolate;oxolane;chloride
CID 139038564
tris(2,4-ditert-butyl-6-[[3-[[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]methyl]phenyl]methyliminomethyl]phenolate);tris(hafnium(4+));hexakis(2-methylpropan-2-olate)
CID 139166398
CID 173215314
CID 173215314
bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide
CID 139150847
bis(2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate);bis(oxygen(2-));bis(titanium(4+))
CID 11615085
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 136790281
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 25209236) is cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[Co+2].
What is the InChIKey of cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is VLCWUBRBUIVTCC-IBHFGPSZSA-L. The full InChI is InChI=1S/C32H48N2O2.Co/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;/h15-20,35-36H,13-14H2,1-12H3;/q;+2/p-2/b33-19+,34-20+;.
What are the key properties of cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate has a molecular weight of 549.67 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 25209236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).