About nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate
nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate (PubChem CID 139161543) has the molecular formula C96H120Cu12N20Na5O54P6
and a molecular weight of 3481.45 g/mol. Its IUPAC name is nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate.
Molecular Properties
| Compound Name | nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate |
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| PubChem CID | 139161543 |
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| Molecular Formula | C96H120Cu12N20Na5O54P6 |
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| Molecular Weight | 3481.45 g/mol |
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| Exact Mass | 3472.67 |
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| IUPAC Name | nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate |
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| SMILES | CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+].[Cu+].[Cu+].[Na+].[Na+].[Na+].[Na+].[Na+] |
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| InChI | InChI=1S/6C12H11N2O2.6C4H11O3P.12Cu.8NO3.5Na/c6*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;6*1-4(2,3)8(5,6)7;;;;;;;;;;;;;8*2-1(3)4;;;;;/h6*2-9H,1H3;6*1-3H3,(H2,5,6,7);;;;;;;;;;;;;;;;;;;;;;;;;/q6*-1;;;;;;;3*+1;9*+2;8*-1;5*+1/p-12 |
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| InChIKey | IKQOMBDTCUCWIO-UHFFFAOYSA-B |
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| XLogP | -14.62 |
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| TPSA | 1257.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 66 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 193 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 3481.45 |
| LogP ≤ 5 | -14.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 66 |
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Frequently Asked Questions
What is the IUPAC name of nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate?
The IUPAC name of nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate (CID 139161543) is nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate.
What is the SMILES notation for nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate?
The canonical SMILES for nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate is CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].CC(C)(C)P(=O)([O-])[O-].COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.COC([O-])(c1ccccn1)c1ccccn1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+].[Cu+].[Cu+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate?
The InChIKey is IKQOMBDTCUCWIO-UHFFFAOYSA-B. The full InChI is InChI=1S/6C12H11N2O2.6C4H11O3P.12Cu.8NO3.5Na/c6*1-16-12(15,10-6-2-4-8-13-10)11-7-3-5-9-14-11;6*1-4(2,3)8(5,6)7;;;;;;;;;;;;;8*2-1(3)4;;;;;/h6*2-9H,1H3;6*1-3H3,(H2,5,6,7);;;;;;;;;;;;;;;;;;;;;;;;;/q6*-1;;;;;;;3*+1;9*+2;8*-1;5*+1/p-12.
What are the key properties of nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate?
nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate has a molecular weight of 3481.45 g/mol, XLogP of -14.62, 18 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for nonacopper;pentasodium;hexakis(tert-butyl-dioxido-oxo-λ5-phosphane);tris(copper(1+));hexakis(methoxy(dipyridin-2-yl)methanolate);octanitrate is sourced from PubChem (CID 139161543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).