About 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))
2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) (PubChem CID 59611509) has the molecular formula C25H20N6O7P2V2
and a molecular weight of 680.31 g/mol. Its IUPAC name is 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)).
Molecular Properties
| Compound Name | 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) |
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| PubChem CID | 59611509 |
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| Molecular Formula | C25H20N6O7P2V2 |
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| Molecular Weight | 680.31 g/mol |
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| Exact Mass | 679.97 |
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| IUPAC Name | 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) |
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| SMILES | COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(=O)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)[nH]1.[V+2].[V+2] |
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| InChI | InChI=1S/C21H12N4O3P2.2C2H5NO2.2V/c26-9-29-20-22-7-17(24-20)11-1-3-13-14-4-2-12(6-16(14)19(28)15(13)5-11)18-8-23-21(25-18)30-10-27;2*1-5-2(3)4;;/h1-8,29-30H,(H,22,24)(H,23,25);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2 |
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| InChIKey | GJWCDJMKKMHRGE-UHFFFAOYSA-L |
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| XLogP | 4.03 |
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| TPSA | 208.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 680.31 |
| LogP ≤ 5 | 4.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))?
The IUPAC name of 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) (CID 59611509) is 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)).
What is the SMILES notation for 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))?
The canonical SMILES for 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(=O)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)[nH]1.[V+2].[V+2].
What is the InChIKey of 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))?
The InChIKey is GJWCDJMKKMHRGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H12N4O3P2.2C2H5NO2.2V/c26-9-29-20-22-7-17(24-20)11-1-3-13-14-4-2-12(6-16(14)19(28)15(13)5-11)18-8-23-21(25-18)30-10-27;2*1-5-2(3)4;;/h1-8,29-30H,(H,22,24)(H,23,25);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.
What are the key properties of 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))?
2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) has a molecular weight of 680.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+)) is sourced from PubChem (CID 59611509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).