About dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate
dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate (PubChem CID 139160029) has the molecular formula C63H65ClDy2N4O22Zn2
and a molecular weight of 1721.45 g/mol. Its IUPAC name is dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate.
Molecular Properties
| Compound Name | dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate |
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| PubChem CID | 139160029 |
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| Molecular Formula | C63H65ClDy2N4O22Zn2 |
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| Molecular Weight | 1721.45 g/mol |
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| Exact Mass | 1720.09 |
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| IUPAC Name | dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate |
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| SMILES | CO.CO.CO.CO.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Dy+3].[Dy+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2] |
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| InChI | InChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Dy.2Zn/c5*8-7(9)6-4-2-1-3-5-6;4*8-5-6-3-1-2-4-7-6;4*1-2;2-1(3,4)5;;;;/h5*1-5H,(H,8,9);4*1-4H,5H2;4*2H,1H3;(H,2,3,4,5);;;;/q;;;;;4*-1;;;;;;2*+3;2*+2/p-6 |
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| InChIKey | LPYCPVLFJBZIRA-UHFFFAOYSA-H |
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| XLogP | -6.31 |
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| TPSA | 517.61 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 26 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 94 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1721.45 |
| LogP ≤ 5 | -6.31 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The IUPAC name of dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate (CID 139160029) is dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate.
What is the SMILES notation for dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The canonical SMILES for dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate is CO.CO.CO.CO.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Dy+3].[Dy+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
The InChIKey is LPYCPVLFJBZIRA-UHFFFAOYSA-H. The full InChI is InChI=1S/5C7H6O2.4C6H6NO.4CH4O.ClHO4.2Dy.2Zn/c5*8-7(9)6-4-2-1-3-5-6;4*8-5-6-3-1-2-4-7-6;4*1-2;2-1(3,4)5;;;;/h5*1-5H,(H,8,9);4*1-4H,5H2;4*2H,1H3;(H,2,3,4,5);;;;/q;;;;;4*-1;;;;;;2*+3;2*+2/p-6.
What are the key properties of dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate?
dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate has a molecular weight of 1721.45 g/mol, XLogP of -6.31, 9 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(dysprosium(3+));methanol;tetrakis(pyridin-2-ylmethanolate);pentabenzoate;perchlorate is sourced from PubChem (CID 139160029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).