About decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide
decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide (PubChem CID 139184633) has the molecular formula C120H122N20Na10Ni6O22
and a molecular weight of 2778.47 g/mol. Its IUPAC name is decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide.
Molecular Properties
| Compound Name | decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide |
|---|
| PubChem CID | 139184633 |
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| Molecular Formula | C120H122N20Na10Ni6O22 |
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| Molecular Weight | 2778.47 g/mol |
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| Exact Mass | 2772.41 |
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| IUPAC Name | decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide |
|---|
| SMILES | [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[OH-].[OH-] |
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| InChI | InChI=1S/20C6H6NO.10Na.6Ni.2H2O/c20*8-5-6-3-1-2-4-7-6;;;;;;;;;;;;;;;;;;/h20*1-4H,5H2;;;;;;;;;;;;;;;;;2*1H2/q20*-1;10*+1;6*+2;;/p-2 |
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| InChIKey | JZWVGZGHBLEDNU-UHFFFAOYSA-L |
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| XLogP | -31.49 |
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| TPSA | 779.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 42 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 178 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2778.47 |
| LogP ≤ 5 | -31.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |
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Frequently Asked Questions
What is the IUPAC name of decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide?
The IUPAC name of decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide (CID 139184633) is decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide.
What is the SMILES notation for decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide?
The canonical SMILES for decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide is [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[OH-].[OH-].
What is the InChIKey of decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide?
The InChIKey is JZWVGZGHBLEDNU-UHFFFAOYSA-L. The full InChI is InChI=1S/20C6H6NO.10Na.6Ni.2H2O/c20*8-5-6-3-1-2-4-7-6;;;;;;;;;;;;;;;;;;/h20*1-4H,5H2;;;;;;;;;;;;;;;;;2*1H2/q20*-1;10*+1;6*+2;;/p-2.
What are the key properties of decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide?
decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide has a molecular weight of 2778.47 g/mol, XLogP of -31.49, 20 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for decasodium;hexakis(nickel(2+));icosakis(pyridin-2-ylmethanolate);dihydroxide is sourced from PubChem (CID 139184633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).