hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate

C92H126Dy2Mn8N18O38-2 — CID 139169513

IUPAChexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.[Dy+3].[Dy].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[OH-].[OH-]
InChIInChI=1S/4C11H8N2O2.4C6H13NO3.6C2H3N.6C2H4O2.2Dy.8Mn.4H2O.2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-4-1-7(2-5-9)3-6-10;6*1-2-3;6*1-2(3)4;;;;;;;;;;;;;;;;/h4*1-8H;4*8H,1-6H2;6*1H3;6*1H3,(H,3,4);;;;;;;;;;;4*1H2;;/q8*-2;;;;;;;;;;;;;;+3;+2;7*+3;;;;;2*-2/p-8
InChIKeyVTCBVQPCVUSGIR-UHFFFAOYSA-F
MW2856.61 g/mol
LogP-20.95
Rot. Bonds32

About hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate

hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate (PubChem CID 139169513) has the molecular formula C92H126Dy2Mn8N18O38-2 and a molecular weight of 2856.61 g/mol. Its IUPAC name is hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate.

Molecular Properties

Compound Namehexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate
PubChem CID139169513
Molecular FormulaC92H126Dy2Mn8N18O38-2
Molecular Weight2856.61 g/mol
Exact Mass2858.21
IUPAC Namehexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.[Dy+3].[Dy].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[OH-].[OH-]
InChIInChI=1S/4C11H8N2O2.4C6H13NO3.6C2H3N.6C2H4O2.2Dy.8Mn.4H2O.2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-4-1-7(2-5-9)3-6-10;6*1-2-3;6*1-2(3)4;;;;;;;;;;;;;;;;/h4*1-8H;4*8H,1-6H2;6*1H3;6*1H3,(H,3,4);;;;;;;;;;;4*1H2;;/q8*-2;;;;;;;;;;;;;;+3;+2;7*+3;;;;;2*-2/p-8
InChIKeyVTCBVQPCVUSGIR-UHFFFAOYSA-F
XLogP-20.95
TPSA1129.48 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds32
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002856.61
LogP ≤ 5-20.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate with MolForge

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Related Compounds

Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));hexakis(manganese(3+));bis(methoxy(dipyridin-2-yl)methanolate);bis(oxygen(2-));propanoate
CID 139131613
Tetrakis(dipyridin-2-ylmethanediolate);manganese;octakis(oxygen(2-));propanoate;bis(terbium(3+));dinitrate
CID 139144144
Tetrakis(dipyridin-2-ylmethanediolate);bis(gadolinium(3+));manganese;octakis(oxygen(2-));propanoate;tetranitrate
CID 139144145
Tetrakis(dipyridin-2-ylmethanediolate);bis(dysprosium(3+));manganese;hexakis(oxygen(2-));propanoate;dihydroxide;dinitrate
CID 139144209
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine);tetranitrate
CID 139144210
Hexacopper;bis(cyanoazanidyl(dipyridin-2-yl)methanolate);tetrakis(methoxy(dipyridin-2-yl)methanolate);tetraperchlorate;dihydrate
CID 139156316
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
Bis(dipyridin-2-ylmethanediolate);methanolate;hexakis(oxygen(2-));tetrakis(vanadium)
CID 139158825
Octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
CID 139159160
Bis(iron(2+));bis(methoxy-bis(6-pyridin-2-yl-2-pyridinyl)methanolate);diperchlorate
CID 139162090
Dizinc;bis(methoxy-bis(6-pyridin-2-yl-2-pyridinyl)methanolate);diperchlorate
CID 139162096
copper;ethanol;tris((R)-ethoxy-[6-[(R)-ethoxy-hydroxy-pyridin-2-ylmethyl]-2-pyridinyl]-pyridin-2-ylmethanolate);gadolinium(3+);diperchlorate
CID 139164151

Frequently Asked Questions

What is the IUPAC name of hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate?
The IUPAC name of hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate (CID 139169513) is hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate.
What is the SMILES notation for hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate?
The canonical SMILES for hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.[Dy+3].[Dy].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]C([O-])(c1ccccn1)c1ccccn1.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.[OH-].[OH-].
What is the InChIKey of hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate?
The InChIKey is VTCBVQPCVUSGIR-UHFFFAOYSA-F. The full InChI is InChI=1S/4C11H8N2O2.4C6H13NO3.6C2H3N.6C2H4O2.2Dy.8Mn.4H2O.2O/c4*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;4*8-4-1-7(2-5-9)3-6-10;6*1-2-3;6*1-2(3)4;;;;;;;;;;;;;;;;/h4*1-8H;4*8H,1-6H2;6*1H3;6*1H3,(H,3,4);;;;;;;;;;;4*1H2;;/q8*-2;;;;;;;;;;;;;;+3;+2;7*+3;;;;;2*-2/p-8.
What are the key properties of hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate?
hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate has a molecular weight of 2856.61 g/mol, XLogP of -20.95, 32 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(acetonitrile);tetrakis(dipyridin-2-ylmethanediolate);dysprosium;dysprosium(3+);tetrakis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);manganese(2+);heptakis(manganese(3+));bis(oxygen(2-));hexaacetate;dihydroxide;dihydrate is sourced from PubChem (CID 139169513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).