tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate

C50H44Dy2Mn4N10O26-20 — CID 139144209

About tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate

tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate (PubChem CID 139144209) has the molecular formula C50H44Dy2Mn4N10O26-20 and a molecular weight of 1745.70 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate.

Molecular Properties

• Compound Name: tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate
• PubChem CID: 139144209
• Molecular Formula: C50H44Dy2Mn4N10O26-20
• Molecular Weight: 1745.70 g/mol
• Exact Mass: 1747.86
• IUPAC Name: tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate
• SMILES: CCC(=O)[O-].CCC(=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].[Dy+3].[Mn].[Mn].[Mn].[Mn].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[OH-].[OH-]
• InChI: InChI=1S/4C11H8N2O2.2C3H6O2.2Dy.4Mn.2NO3.2H2O.6O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-3(4)5;;;;;;;2*2-1(3)4;;;;;;;;/h4*1-8H;2*2H2,1H3,(H,4,5);;;;;;;;;2*1H2;;;;;;/q4*-2;;;2*+3;;;;;2*-1;;;6*-2/p-4
• InChIKey: SHZIOHFNMVWXDI-UHFFFAOYSA-J
• XLogP: -5.67
• TPSA: 731.26 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1745.70
LogP ≤ 5	-5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate?

The IUPAC name of tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate (CID 139144209) is tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate.

What is the SMILES notation for tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate?

The canonical SMILES for tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate is CCC(=O)[O-].CCC(=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Dy+3].[Dy+3].[Mn].[Mn].[Mn].[Mn].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[OH-].[OH-].

What is the InChIKey of tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate?

The InChIKey is SHZIOHFNMVWXDI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H8N2O2.2C3H6O2.2Dy.4Mn.2NO3.2H2O.6O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-3(4)5;;;;;;;2*2-1(3)4;;;;;;;;/h4*1-8H;2*2H2,1H3,(H,4,5);;;;;;;;;2*1H2;;;;;;/q4*-2;;;2*+3;;;;;2*-1;;;6*-2/p-4.

What are the key properties of tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate?

tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate has a molecular weight of 1745.70 g/mol, XLogP of -5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate is sourced from PubChem (CID 139144209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).