[6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))

C31H22F2N6O6P2V2 — CID 59610946

About [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))

[6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (PubChem CID 59610946) has the molecular formula C31H22F2N6O6P2V2 and a molecular weight of 776.38 g/mol. Its IUPAC name is [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).

Molecular Properties

• Compound Name: [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
• PubChem CID: 59610946
• Molecular Formula: C31H22F2N6O6P2V2
• Molecular Weight: 776.38 g/mol
• Exact Mass: 775.99
• IUPAC Name: [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(C#Cc4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2]
• InChI: InChI=1S/C27H14F2N4O2P2.2C2H5NO2.2V/c28-27(29)20-9-15(1-2-16-4-8-22-23(10-16)32-26(31-22)37-14-35)3-6-18(20)19-7-5-17(11-21(19)27)24-12-30-25(33-24)36-13-34;2*1-5-2(3)4;;/h3-12,36-37H,(H,30,33)(H,31,32);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
• InChIKey: ANIYPCPJUZWJTC-UHFFFAOYSA-L
• XLogP: 5.82
• TPSA: 191.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.38
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?

The IUPAC name of [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (CID 59610946) is [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).

What is the SMILES notation for [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?

The canonical SMILES for [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(C#Cc4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2].

What is the InChIKey of [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?

The InChIKey is ANIYPCPJUZWJTC-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H14F2N4O2P2.2C2H5NO2.2V/c28-27(29)20-9-15(1-2-16-4-8-22-23(10-16)32-26(31-22)37-14-35)3-6-18(20)19-7-5-17(11-21(19)27)24-12-30-25(33-24)36-13-34;2*1-5-2(3)4;;/h3-12,36-37H,(H,30,33)(H,31,32);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.

What are the key properties of [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?

[6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) has a molecular weight of 776.38 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) is sourced from PubChem (CID 59610946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).