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

C29H22F2N6O6P2V2 — CID 59611557

IUPAC[6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C25H14F2N4O2P2.2C2H5NO2.2V/c26-25(27)18-7-13(14-3-6-20-21(9-14)30-24(29-20)35-12-33)1-4-16(18)17-5-2-15(8-19(17)25)22-10-28-23(31-22)34-11-32;2*1-5-2(3)4;;/h1-10,34-35H,(H,28,31)(H,29,30);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyLZDKEPGXAPLHNN-UHFFFAOYSA-L
MW752.36 g/mol
LogP6.09
Rot. Bonds6

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

[6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (PubChem CID 59611557) has the molecular formula C29H22F2N6O6P2V2 and a molecular weight of 752.36 g/mol. Its IUPAC name is [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).

Molecular Properties

Compound Name[6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
PubChem CID59611557
Molecular FormulaC29H22F2N6O6P2V2
Molecular Weight752.36 g/mol
Exact Mass751.99
IUPAC Name[6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C25H14F2N4O2P2.2C2H5NO2.2V/c26-25(27)18-7-13(14-3-6-20-21(9-14)30-24(29-20)35-12-33)1-4-16(18)17-5-2-15(8-19(17)25)22-10-28-23(31-22)34-11-32;2*1-5-2(3)4;;/h1-10,34-35H,(H,28,31)(H,29,30);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyLZDKEPGXAPLHNN-UHFFFAOYSA-L
XLogP6.09
TPSA191.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.36
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The IUPAC name of [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (CID 59611557) is [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).
What is the SMILES notation for [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The canonical SMILES for [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-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(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2].
What is the InChIKey of [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The InChIKey is LZDKEPGXAPLHNN-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H14F2N4O2P2.2C2H5NO2.2V/c26-25(27)18-7-13(14-3-6-20-21(9-14)30-24(29-20)35-12-33)1-4-16(18)17-5-2-15(8-19(17)25)22-10-28-23(31-22)34-11-32;2*1-5-2(3)4;;/h1-10,34-35H,(H,28,31)(H,29,30);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.
What are the key properties of [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
[6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) has a molecular weight of 752.36 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) is sourced from PubChem (CID 59611557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).