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

C₆₄H₇₂Dy₄N₁₂O₂₀ — CID 139179210

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 Name: Tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
• PubChem CID: 139179210
• Molecular Formula: C₆₄H₇₂Dy₄N₁₂O₂₀
• Molecular Weight: 1979.34 g/mol
• Exact Mass: 1984.22
• IUPAC Name: tetrakis(dysprosium(3+));tetrakis((NE,2Z)-6-(hydroxymethyl)-N-[(2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);methanol;methanolate
• SMILES: 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
• InChI: 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+
• InChIKey: ISDJICFPYYYUDG-CTHZBPRXSA-F
• XLogP: -6.51
• TPSA: 589.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1979.34
LogP ≤ 5	-6.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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'}

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).

Sources

• PubChem CID 139179210 — identifiers, structure, computed properties (public domain)

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