tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate

C64H72Dy4N12O20 — CID 139179210

IUPACtetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
SMILESCO.CO.CO.CO.C[O-].C[O-].C[O-].C[O-].[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=Cc1ccccc1[O-])c1cccc(CO)n1
InChIInChI=1S/4C14H13N3O3.4CH4O.4CH3O.4Dy/c4*18-9-11-5-3-6-12(16-11)14(20)17-15-8-10-4-1-2-7-13(10)19;8*1-2;;;;/h4*1-8,18-19H,9H2,(H,17,20);4*2H,1H3;4*1H3;;;;/q;;;;;;;;4*-1;4*+3/p-8/b3*15-8+;;;;;;;;;;;;;
InChIKeyISDJICFPYYYUDG-CTHZBPRXSA-F
MW1979.34 g/mol
LogP-6.51
Rot. Bonds16

About tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate

tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate (PubChem CID 139179210) has the molecular formula C64H72Dy4N12O20 and a molecular weight of 1979.34 g/mol. Its IUPAC name is tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate.

Molecular Properties

Compound Nametetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
PubChem CID139179210
Molecular FormulaC64H72Dy4N12O20
Molecular Weight1979.34 g/mol
Exact Mass1984.22
IUPAC Nametetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
SMILESCO.CO.CO.CO.C[O-].C[O-].C[O-].C[O-].[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=Cc1ccccc1[O-])c1cccc(CO)n1
InChIInChI=1S/4C14H13N3O3.4CH4O.4CH3O.4Dy/c4*18-9-11-5-3-6-12(16-11)14(20)17-15-8-10-4-1-2-7-13(10)19;8*1-2;;;;/h4*1-8,18-19H,9H2,(H,17,20);4*2H,1H3;4*1H3;;;;/q;;;;;;;;4*-1;4*+3/p-8/b3*15-8+;;;;;;;;;;;;;
InChIKeyISDJICFPYYYUDG-CTHZBPRXSA-F
XLogP-6.51
TPSA589.00 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.34
LogP ≤ 5-6.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tetrakis((NE,2Z)-N-[(2-hydroxyphenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);tetrakis(manganese(2+));bis(propan-1-ol);tetraperchlorate;dihydrate
CID 139045128
bis(acetonitrile);bis(manganese(2+));bis(manganese(3+));methanol;tetrakis((NE,2Z)-N-[(2-oxidophenyl)methylidene]-6-pyridin-2-ylpyridine-2-carbohydrazonate);diperchlorate
CID 139045140
tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis(terbium(3+))
CID 139179208
tetrakis(gadolinium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179211
tetrakis(holmium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
CID 139179212
tetraoxidanium;hexakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;bis((NE,2Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]-6-(oxidomethyl)pyridine-2-carbohydrazonate);tetrachloride;tetrahydroxide;octahydrate
CID 168338086
tetrakis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(ytterbium(3+))
CID 168342856
bis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]-6-(hydroxymethyl)pyridine-2-carbohydrazonate);tetrakis(dysprosium(3+));methanol;hexakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
CID 168349776
bis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]-6-(hydroxymethyl)pyridine-2-carbohydrazonate);tetrakis(dysprosium(3+));ethanol;hexakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
CID 168349778
tetrakis(butan-1-ol);bis((NE,2Z)-N-[(2,3-dioxidophenyl)methylidene]-6-(hydroxymethyl)pyridine-2-carbohydrazonate);tetrakis(dysprosium(3+));hexakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
CID 168349779
bis(dipyridin-2-ylmethanediolate);dysprosium(3+);tetrakis(2-[[(2R)-1-hydroxy-3-oxidopropan-2-yl]iminomethyl]phenolate);tetrakis(manganese(3+));dichloride;hydroxide
CID 168349945
tetrakis(N,2-dihydroxybenzenecarboximidic acid);bis(N-[di(piperidin-1-id-2-yl)methylidene]hydroxylamine);methanol;N-[piperidin-1-id-2-yl(pyridin-2-yl)methylidene]hydroxylamine;N-[2H-pyridin-1-id-6-yl(pyridin-2-yl)methylidene]hydroxylamine;zinc
CID 135462671

Frequently Asked Questions

What is the IUPAC name of tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate?
The IUPAC name of tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate (CID 139179210) is tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate.
What is the SMILES notation for tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate?
The canonical SMILES for tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate is CO.CO.CO.CO.C[O-].C[O-].C[O-].C[O-].[Dy+3].[Dy+3].[Dy+3].[Dy+3].[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=C\c1ccccc1[O-])c1cccc(CO)n1.[O-]/C(=N\N=Cc1ccccc1[O-])c1cccc(CO)n1.
What is the InChIKey of tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate?
The InChIKey is ISDJICFPYYYUDG-CTHZBPRXSA-F. The full InChI is InChI=1S/4C14H13N3O3.4CH4O.4CH3O.4Dy/c4*18-9-11-5-3-6-12(16-11)14(20)17-15-8-10-4-1-2-7-13(10)19;8*1-2;;;;/h4*1-8,18-19H,9H2,(H,17,20);4*2H,1H3;4*1H3;;;;/q;;;;;;;;4*-1;4*+3/p-8/b3*15-8+;;;;;;;;;;;;;.
What are the key properties of tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate?
tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate has a molecular weight of 1979.34 g/mol, XLogP of -6.51, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate is sourced from PubChem (CID 139179210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).