cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate

C42H42CoF6N2O4Sb — CID 16689758

IUPACcobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate
SMILESCC(=O)C(/C=N\[C@H](c1ccccc1)[C@H](/N=C/C(C(C)=O)=C(/[O-])c1c(C)cc(C)cc1C)c1ccccc1)=C(\[O-])c1c(C)cc(C)cc1C.F[Sb-](F)(F)(F)(F)F.[Co+3]
InChIInChI=1S/C42H44N2O4.Co.6FH.Sb/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;;;;;;;;/h9-24,39-40,47-48H,1-8H3;;6*1H;/q;+3;;;;;;;+5/p-8/b41-35-,42-36-,43-23-,44-24+;;;;;;;;/t39-,40-;;;;;;;;/m1......../s1
InChIKeyRCADOIQBRAIKNA-PVDWVHMMSA-F
MW933.49 g/mol
LogP9.32
Rot. Bonds11

About cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate

cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate (PubChem CID 16689758) has the molecular formula C42H42CoF6N2O4Sb and a molecular weight of 933.49 g/mol. Its IUPAC name is cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate.

Molecular Properties

Compound Namecobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate
PubChem CID16689758
Molecular FormulaC42H42CoF6N2O4Sb
Molecular Weight933.49 g/mol
Exact Mass932.14
IUPAC Namecobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate
SMILESCC(=O)C(/C=N\[C@H](c1ccccc1)[C@H](/N=C/C(C(C)=O)=C(/[O-])c1c(C)cc(C)cc1C)c1ccccc1)=C(\[O-])c1c(C)cc(C)cc1C.F[Sb-](F)(F)(F)(F)F.[Co+3]
InChIInChI=1S/C42H44N2O4.Co.6FH.Sb/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;;;;;;;;/h9-24,39-40,47-48H,1-8H3;;6*1H;/q;+3;;;;;;;+5/p-8/b41-35-,42-36-,43-23-,44-24+;;;;;;;;/t39-,40-;;;;;;;;/m1......../s1
InChIKeyRCADOIQBRAIKNA-PVDWVHMMSA-F
XLogP9.32
TPSA104.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.49
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate with MolForge

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Launch Full Analysis

Related Compounds

cobalt;3-hydroxy-2-[[2-[[3-hydroxy-2-(2,4,6-trimethylbenzoyl)but-2-enylidene]amino]-1,2-diphenylethyl]iminomethyl]-1-(2,4,6-trimethylphenyl)but-2-en-1-one
CID 146157585
(E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]-1,2-diphenylethyl]iminomethyl]-4-hydroxypent-3-en-2-one
CID 137328311
2-[[2-[[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]amino]-1,2-diphenylethyl]iminomethyl]-1-(2,4,6-trimethylphenyl)butane-1,3-dione
CID 18915759
(Z)-3-[[(1R,2R)-2-[[(Z)-2-acetyl-3-hydroxybut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-4-hydroxypent-3-en-2-one
CID 172885175
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
cobalt;(2E)-2-[[[(1S,2S)-2-[[(E)-3-oxo-2-(2,4,6-trimethylbenzoyl)but-1-enyl]amino]-1,2-diphenylethyl]amino]methylidene]-1-(2,4,6-trimethylphenyl)butane-1,3-dione
CID 10963540
CID 16733724
CID 16733724
ethyl (Z)-2-[[(1R,2R)-2-[[(E)-2-ethoxycarbonyl-3-hydroxybut-2-enylidene]amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]iminomethyl]-3-hydroxybut-2-enoate
CID 177404582
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate?
The IUPAC name of cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate (CID 16689758) is cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate.
What is the SMILES notation for cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate?
The canonical SMILES for cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate is CC(=O)C(/C=N\[C@H](c1ccccc1)[C@H](/N=C/C(C(C)=O)=C(/[O-])c1c(C)cc(C)cc1C)c1ccccc1)=C(\[O-])c1c(C)cc(C)cc1C.F[Sb-](F)(F)(F)(F)F.[Co+3].
What is the InChIKey of cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate?
The InChIKey is RCADOIQBRAIKNA-PVDWVHMMSA-F. The full InChI is InChI=1S/C42H44N2O4.Co.6FH.Sb/c1-25-19-27(3)37(28(4)20-25)41(47)35(31(7)45)23-43-39(33-15-11-9-12-16-33)40(34-17-13-10-14-18-34)44-24-36(32(8)46)42(48)38-29(5)21-26(2)22-30(38)6;;;;;;;;/h9-24,39-40,47-48H,1-8H3;;6*1H;/q;+3;;;;;;;+5/p-8/b41-35-,42-36-,43-23-,44-24+;;;;;;;;/t39-,40-;;;;;;;;/m1......../s1.
What are the key properties of cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate?
cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate has a molecular weight of 933.49 g/mol, XLogP of 9.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);hexafluoroantimony(1-);(Z)-2-[[(1R,2R)-2-[[(2Z)-2-[oxido-(2,4,6-trimethylphenyl)methylidene]-3-oxobutylidene]amino]-1,2-diphenylethyl]iminomethyl]-3-oxo-1-(2,4,6-trimethylphenyl)but-1-en-1-olate is sourced from PubChem (CID 16689758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).