2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))

C25H20N6O7P2V2 — CID 59611509

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+))
• PubChem CID: 59611509
• Molecular Formula: C25H20N6O7P2V2
• Molecular Weight: 680.31 g/mol
• Exact Mass: 679.97
• IUPAC Name: 2,7-bis[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-9-one;methoxycarbonylazanide;bis(vanadium(2+))
• 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]
• 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
• InChIKey: GJWCDJMKKMHRGE-UHFFFAOYSA-L
• XLogP: 4.03
• TPSA: 208.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
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'}

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).