bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

C64H92Dy2N2O10 — CID 139167946

IUPACbis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3]
InChIInChI=1S/4C11H20O2.2C10H9NO.2Dy/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h4*7,12H,1-6H3;2*2-6,12H,1H3;;/q;;;;;;2*+3/p-6/b4*8-7-;;;;
InChIKeyAUDNTUFVJATRGR-OXSRBUJQSA-H
MW1374.44 g/mol
LogP10.80
Rot. Bonds4

About bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (PubChem CID 139167946) has the molecular formula C64H92Dy2N2O10 and a molecular weight of 1374.44 g/mol. Its IUPAC name is bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).

Molecular Properties

Compound Namebis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
PubChem CID139167946
Molecular FormulaC64H92Dy2N2O10
Molecular Weight1374.44 g/mol
Exact Mass1376.53
IUPAC Namebis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3]
InChIInChI=1S/4C11H20O2.2C10H9NO.2Dy/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h4*7,12H,1-6H3;2*2-6,12H,1H3;;/q;;;;;;2*+3/p-6/b4*8-7-;;;;
InChIKeyAUDNTUFVJATRGR-OXSRBUJQSA-H
XLogP10.80
TPSA232.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.44
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(dysprosium(3+));bis(2-[(4-methylphenyl)iminomethyl]quinolin-8-olate);bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);bis((Z)-5,5,5-trifluoro-4-oxopent-2-en-2-olate)
CID 139177920
bis(gadolinium(3+));bis(2-[(4-methylphenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139177922
bis(2-[(4-methylphenyl)iminomethyl]quinolin-8-olate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139177923
bis(holmium(3+));bis(2-[(4-methylphenyl)iminomethyl]quinolin-8-olate);bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);bis((Z)-5,5,5-trifluoro-4-oxopent-2-en-2-olate)
CID 139177924
bis(erbium(3+));bis(2-[(4-methylphenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139177925
bis(2-[(4-fluorophenyl)iminomethyl]quinolin-8-olate);bis(gadolinium(3+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 168338464
bis(2-[(4-fluorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(terbium(3+))
CID 168338465
bis(dysprosium(3+));bis(2-[(4-fluorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 168338466
bis(2-[(4-fluorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))
CID 168338467
bis(2-[(4-fluorophenyl)iminomethyl]quinolin-8-olate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 168338468
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
Bis(2-methyl-8-quinolinolato) Molybdenum
CID 139054921

Frequently Asked Questions

What is the IUPAC name of bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The IUPAC name of bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (CID 139167946) is bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).
What is the SMILES notation for bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The canonical SMILES for bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3].
What is the InChIKey of bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The InChIKey is AUDNTUFVJATRGR-OXSRBUJQSA-H. The full InChI is InChI=1S/4C11H20O2.2C10H9NO.2Dy/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h4*7,12H,1-6H3;2*2-6,12H,1H3;;/q;;;;;;2*+3/p-6/b4*8-7-;;;;.
What are the key properties of bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) has a molecular weight of 1374.44 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dysprosium(3+));bis(2-methylquinolin-8-olate);tetrakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is sourced from PubChem (CID 139167946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).