tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate

C52H47Cl2Dy3N12O22 — CID 139143059

IUPACtris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate
SMILESCO.CO.CO.CO.O=C1C=CC=N/C1=C(\[O-])N/N=C/c1ccc2cccc([O-])c2n1.O=C1C=CC=N/C1=C(\[O-])N/N=C\c1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccc2cccc([O-])c2n1)c1ncccc1O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/3C16H12N4O3.4CH4O.2ClHO4.3Dy.H2O/c3*21-12-4-1-3-10-6-7-11(19-14(10)12)9-18-20-16(23)15-13(22)5-2-8-17-15;4*1-2;2*2-1(3,4)5;;;;/h1-9,21-22H,(H,20,23);2*1-9,20-21,23H;4*2H,1H3;2*(H,2,3,4,5);;;;1H2/q;;;;;;;;;3*+3;/p-9/b18-9+;16-15-,18-9+;16-15-,18-9-;;;;;;;;;;
InChIKeyHJLZIIMSLZWAGF-DKPNNIFTSA-E
MW1750.42 g/mol
LogP-10.76
Rot. Bonds9

About tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate

tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate (PubChem CID 139143059) has the molecular formula C52H47Cl2Dy3N12O22 and a molecular weight of 1750.42 g/mol. Its IUPAC name is tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate.

Molecular Properties

Compound Nametris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate
PubChem CID139143059
Molecular FormulaC52H47Cl2Dy3N12O22
Molecular Weight1750.42 g/mol
Exact Mass1753.02
IUPAC Nametris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate
SMILESCO.CO.CO.CO.O=C1C=CC=N/C1=C(\[O-])N/N=C/c1ccc2cccc([O-])c2n1.O=C1C=CC=N/C1=C(\[O-])N/N=C\c1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccc2cccc([O-])c2n1)c1ncccc1O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-]
InChIInChI=1S/3C16H12N4O3.4CH4O.2ClHO4.3Dy.H2O/c3*21-12-4-1-3-10-6-7-11(19-14(10)12)9-18-20-16(23)15-13(22)5-2-8-17-15;4*1-2;2*2-1(3,4)5;;;;/h1-9,21-22H,(H,20,23);2*1-9,20-21,23H;4*2H,1H3;2*(H,2,3,4,5);;;;1H2/q;;;;;;;;;3*+3;/p-9/b18-9+;16-15-,18-9+;16-15-,18-9-;;;;;;;;;;
InChIKeyHJLZIIMSLZWAGF-DKPNNIFTSA-E
XLogP-10.76
TPSA637.91 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.42
LogP ≤ 5-10.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
CID 139167797
ZINC;methanol;decakis(quinolin-8-ol);ZINC
CID 157639824

Frequently Asked Questions

What is the IUPAC name of tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate?
The IUPAC name of tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate (CID 139143059) is tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate.
What is the SMILES notation for tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate?
The canonical SMILES for tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate is CO.CO.CO.CO.O=C1C=CC=N/C1=C(\[O-])N/N=C/c1ccc2cccc([O-])c2n1.O=C1C=CC=N/C1=C(\[O-])N/N=C\c1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccc2cccc([O-])c2n1)c1ncccc1O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[OH-].
What is the InChIKey of tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate?
The InChIKey is HJLZIIMSLZWAGF-DKPNNIFTSA-E. The full InChI is InChI=1S/3C16H12N4O3.4CH4O.2ClHO4.3Dy.H2O/c3*21-12-4-1-3-10-6-7-11(19-14(10)12)9-18-20-16(23)15-13(22)5-2-8-17-15;4*1-2;2*2-1(3,4)5;;;;/h1-9,21-22H,(H,20,23);2*1-9,20-21,23H;4*2H,1H3;2*(H,2,3,4,5);;;;1H2/q;;;;;;;;;3*+3;/p-9/b18-9+;16-15-,18-9+;16-15-,18-9-;;;;;;;;;;.
What are the key properties of tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate?
tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate has a molecular weight of 1750.42 g/mol, XLogP of -10.76, 9 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dysprosium(3+));(NE,2Z)-3-hydroxy-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-2-carbohydrazonate;methanol;bis(2-[(E)-[[(Z)-oxido-(3-oxo-2-pyridinylidene)methyl]hydrazinylidene]methyl]quinolin-8-olate);hydroxide;diperchlorate is sourced from PubChem (CID 139143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).