cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate

C40H48CoN2O6 — CID 159457220

IUPACcobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc(CC(C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CC(C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C36H42N2O2.2C2H4O2.Co/c1-23-13-25(19-35(3,4)5)15-29(33(23)39)21-37-31-17-27-11-9-10-12-28(27)18-32(31)38-22-30-16-26(20-36(6,7)8)14-24(2)34(30)40;2*1-2(3)4;/h9-18,21-22,39-40H,19-20H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b37-21+,38-22+;;;
InChIKeyLUDBMEIRRWSMRP-BUAHPEKYSA-L
MW711.77 g/mol
LogP7.06
Rot. Bonds6

About cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate (PubChem CID 159457220) has the molecular formula C40H48CoN2O6 and a molecular weight of 711.77 g/mol. Its IUPAC name is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate
PubChem CID159457220
Molecular FormulaC40H48CoN2O6
Molecular Weight711.77 g/mol
Exact Mass711.28
IUPAC Namecobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc(CC(C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CC(C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C36H42N2O2.2C2H4O2.Co/c1-23-13-25(19-35(3,4)5)15-29(33(23)39)21-37-31-17-27-11-9-10-12-28(27)18-32(31)38-22-30-16-26(20-36(6,7)8)14-24(2)34(30)40;2*1-2(3)4;/h9-18,21-22,39-40H,19-20H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b37-21+,38-22+;;;
InChIKeyLUDBMEIRRWSMRP-BUAHPEKYSA-L
XLogP7.06
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.77
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
CID 158037661
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
CID 161265707
cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 173033996
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]phenol;diacetate
CID 158777509
2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate
CID 161245419
2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol
CID 137078426
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
CID 137156216
2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137156887
carbanide;cobalt;oxalic acid;tritert-butyl-[4-[4-hydroxy-3-[[2-[[2-hydroxy-3-methyl-5-(4-tritert-butylphosphaniumylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-5-methylphenyl]butyl]phosphanium
CID 157485001
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-ethylphenol;diacetate
CID 161045530

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate?
The IUPAC name of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate (CID 159457220) is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate.
What is the SMILES notation for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate?
The canonical SMILES for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc(CC(C)(C)C)cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CC(C)(C)C)cc(C)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate?
The InChIKey is LUDBMEIRRWSMRP-BUAHPEKYSA-L. The full InChI is InChI=1S/C36H42N2O2.2C2H4O2.Co/c1-23-13-25(19-35(3,4)5)15-29(33(23)39)21-37-31-17-27-11-9-10-12-28(27)18-32(31)38-22-30-16-26(20-36(6,7)8)14-24(2)34(30)40;2*1-2(3)4;/h9-18,21-22,39-40H,19-20H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b37-21+,38-22+;;;.
What are the key properties of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate?
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate has a molecular weight of 711.77 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate is sourced from PubChem (CID 159457220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).