cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate

C42H52CoN2O6 — CID 161265707

IUPACcobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(CC(C)(C)C)cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(CC)c4O)c23)c1O.[Co+2]
InChIInChI=1S/C38H46N2O2.2C2H4O2.Co/c1-9-27-17-25(21-37(3,4)5)19-30(35(27)41)23-39-32-15-11-13-29-14-12-16-33(34(29)32)40-24-31-20-26(22-38(6,7)8)18-28(10-2)36(31)42;2*1-2(3)4;/h11-20,23-24,41-42H,9-10,21-22H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b39-23-,40-24+;;;
InChIKeyVDDQBABZLNIPJP-ZYNLMWKUSA-L
MW739.82 g/mol
LogP7.56
Rot. Bonds8

About cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate (PubChem CID 161265707) has the molecular formula C42H52CoN2O6 and a molecular weight of 739.82 g/mol. Its IUPAC name is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
PubChem CID161265707
Molecular FormulaC42H52CoN2O6
Molecular Weight739.82 g/mol
Exact Mass739.32
IUPAC Namecobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCc1cc(CC(C)(C)C)cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(CC)c4O)c23)c1O.[Co+2]
InChIInChI=1S/C38H46N2O2.2C2H4O2.Co/c1-9-27-17-25(21-37(3,4)5)19-30(35(27)41)23-39-32-15-11-13-29-14-12-16-33(34(29)32)40-24-31-20-26(22-38(6,7)8)18-28(10-2)36(31)42;2*1-2(3)4;/h11-20,23-24,41-42H,9-10,21-22H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b39-23-,40-24+;;;
InChIKeyVDDQBABZLNIPJP-ZYNLMWKUSA-L
XLogP7.56
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.82
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]phenol;diacetate
CID 158777509
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
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
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-ethylphenol;diacetate
CID 161045530
2-[[8-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137163075
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-[[8-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
CID 157073156
2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137090771
2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137156887
4-butyl-2-[[2-[(5-butyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-ylphenol;cobalt(2+);diacetate
CID 159140445
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
cobalt(2+);2-[[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(3-methylbutyl)phenol;diacetate
CID 159772356

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate?
The IUPAC name of 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) is cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate.
What is the SMILES notation for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate?
The canonical SMILES for cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].CCc1cc(CC(C)(C)C)cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(CC)c4O)c23)c1O.[Co+2].
What is the InChIKey of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate?
The InChIKey is VDDQBABZLNIPJP-ZYNLMWKUSA-L. The full InChI is InChI=1S/C38H46N2O2.2C2H4O2.Co/c1-9-27-17-25(21-37(3,4)5)19-30(35(27)41)23-39-32-15-11-13-29-14-12-16-33(34(29)32)40-24-31-20-26(22-38(6,7)8)18-28(10-2)36(31)42;2*1-2(3)4;/h11-20,23-24,41-42H,9-10,21-22H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b39-23-,40-24+;;;.
What are the key properties of cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate?
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate has a molecular weight of 739.82 g/mol, XLogP of 7.56, 8 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-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate is sourced from PubChem (CID 161265707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).