2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate

C39H56CoN2O7Si2 — CID 173034131

IUPAC2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C\c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c(/N=C/c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c1.[Co+2]
InChIInChI=1S/C35H50N2O3Si2.2C2H4O2.Co/c1-34(2,3)28-19-26(41(8,9)10)16-23(32(28)38)21-36-30-15-14-25(40-7)18-31(30)37-22-24-17-27(42(11,12)13)20-29(33(24)39)35(4,5)6;2*1-2(3)4;/h14-22,38-39H,1-13H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-21-,37-22+;;;
InChIKeyXKDJULPDUCPXNB-NJQDHPEGSA-L
MW779.99 g/mol
LogP5.80
Rot. Bonds7

About 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate

2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate (PubChem CID 173034131) has the molecular formula C39H56CoN2O7Si2 and a molecular weight of 779.99 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
PubChem CID173034131
Molecular FormulaC39H56CoN2O7Si2
Molecular Weight779.99 g/mol
Exact Mass779.30
IUPAC Name2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C\c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c(/N=C/c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c1.[Co+2]
InChIInChI=1S/C35H50N2O3Si2.2C2H4O2.Co/c1-34(2,3)28-19-26(41(8,9)10)16-23(32(28)38)21-36-30-15-14-25(40-7)18-31(30)37-22-24-17-27(42(11,12)13)20-29(33(24)39)35(4,5)6;2*1-2(3)4;/h14-22,38-39H,1-13H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-21-,37-22+;;;
InChIKeyXKDJULPDUCPXNB-NJQDHPEGSA-L
XLogP5.80
TPSA154.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.99
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
CID 173034032
2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137037567
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-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-6-propan-2-ylphenol;diacetate
CID 161245419
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
CID 173033897
cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
CID 173034134
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136814264
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814
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
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The IUPAC name of 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate (CID 173034131) is 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate.
What is the SMILES notation for 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The canonical SMILES for 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate is CC(=O)[O-].CC(=O)[O-].COc1ccc(/N=C\c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c(/N=C/c2cc([Si](C)(C)C)cc(C(C)(C)C)c2O)c1.[Co+2].
What is the InChIKey of 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
The InChIKey is XKDJULPDUCPXNB-NJQDHPEGSA-L. The full InChI is InChI=1S/C35H50N2O3Si2.2C2H4O2.Co/c1-34(2,3)28-19-26(41(8,9)10)16-23(32(28)38)21-36-30-15-14-25(40-7)18-31(30)37-22-24-17-27(42(11,12)13)20-29(33(24)39)35(4,5)6;2*1-2(3)4;/h14-22,38-39H,1-13H3;2*1H3,(H,3,4);/q;;;+2/p-2/b36-21-,37-22+;;;.
What are the key properties of 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate?
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate has a molecular weight of 779.99 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate is sourced from PubChem (CID 173034131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).