About decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+)
decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) (PubChem CID 139142233) has the molecular formula C90H46Cl20N4Ni2O20Tb2-2
and a molecular weight of 2647.66 g/mol. Its IUPAC name is decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+).
Molecular Properties
| Compound Name | decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) |
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| PubChem CID | 139142233 |
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| Molecular Formula | C90H46Cl20N4Ni2O20Tb2-2 |
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| Molecular Weight | 2647.66 g/mol |
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| Exact Mass | 2635.37 |
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| IUPAC Name | decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) |
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| SMILES | O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Ni+2].[Ni+3].[Tb+3].[Tb].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/2C10H8N2.10C7H4Cl2O2.2Ni.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;10*8-5-1-4(7(10)11)2-6(9)3-5;;;;/h2*1-8H;10*1-3H,(H,10,11);;;;/q;;;;;;;;;;;;+2;+3;;+3/p-10 |
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| InChIKey | IQLYQXLCUDYKDE-UHFFFAOYSA-D |
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| XLogP | 17.85 |
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| TPSA | 452.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 24 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 138 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2647.66 |
| LogP ≤ 5 | 17.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
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Frequently Asked Questions
What is the IUPAC name of decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+)?
The IUPAC name of decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) (CID 139142233) is decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+).
What is the SMILES notation for decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+)?
The canonical SMILES for decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) is O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Ni+2].[Ni+3].[Tb+3].[Tb].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+)?
The InChIKey is IQLYQXLCUDYKDE-UHFFFAOYSA-D. The full InChI is InChI=1S/2C10H8N2.10C7H4Cl2O2.2Ni.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;10*8-5-1-4(7(10)11)2-6(9)3-5;;;;/h2*1-8H;10*1-3H,(H,10,11);;;;/q;;;;;;;;;;;;+2;+3;;+3/p-10.
What are the key properties of decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+)?
decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) has a molecular weight of 2647.66 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(3,5-dichlorobenzoate);nickel(2+);nickel(3+);bis(2-pyridin-2-ylpyridine);terbium;terbium(3+) is sourced from PubChem (CID 139142233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).