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

C25H20F2N6O6P2V2 — CID 59610923

IUPAC[5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C21H12F2N4O2P2.2C2H5NO2.2V/c22-21(23)15-5-11(17-7-24-19(26-17)30-9-28)1-3-13(15)14-4-2-12(6-16(14)21)18-8-25-20(27-18)31-10-29;2*1-5-2(3)4;;/h1-8,30-31H,(H,24,26)(H,25,27);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyFXGWMQHPFVJATI-UHFFFAOYSA-L
MW702.30 g/mol
LogP4.93
Rot. Bonds6

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

[5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (PubChem CID 59610923) has the molecular formula C25H20F2N6O6P2V2 and a molecular weight of 702.30 g/mol. Its IUPAC name is [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).

Molecular Properties

Compound Name[5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
PubChem CID59610923
Molecular FormulaC25H20F2N6O6P2V2
Molecular Weight702.30 g/mol
Exact Mass701.98
IUPAC Name[5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C21H12F2N4O2P2.2C2H5NO2.2V/c22-21(23)15-5-11(17-7-24-19(26-17)30-9-28)1-3-13(15)14-4-2-12(6-16(14)21)18-8-25-20(27-18)31-10-29;2*1-5-2(3)4;;/h1-8,30-31H,(H,24,26)(H,25,27);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyFXGWMQHPFVJATI-UHFFFAOYSA-L
XLogP4.93
TPSA191.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.30
LogP ≤ 54.93
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(1S)-1-[(Z)-fluoro-[(2R)-2-[5-[4-[4-[2-[(1R,2Z)-2-[(2S)-1-fluoro-2-(methoxycarbonylamino)-3-methyl-butylidene]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentylidene]methyl]-2-methyl-propyl]carbamate
CID 57404517
methyl N-[(Z,1S,4R)-2-fluoro-4-[5-[4-[4-[2-[(Z,1R,4S)-3-fluoro-4-(methoxycarbonylamino)-1,2,5-trimethyl-hex-2-enyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1-isopropyl-3-methyl-pent-2-enyl]carbamate
CID 70687797
[5-[2-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]ethynyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
CID 59610311
[5-[9,9-difluoro-7-[3-methanidyl-4-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]phenyl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium
CID 59610566
[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
[6-[9,9-difluoro-7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]fluoren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))
CID 59611531
[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
N-[[4-[3-(1H-imidazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;2,2,2-trifluoroacetic acid
CID 68602743
methyl N-[(2S)-1-[(6S)-6-[5-(9,9-difluoro-7-methylfluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89593409
5-[9,9-difluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2-iodo-1H-imidazole
CID 89668944
tert-butyl (2S)-2-[5-[9,9-difluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 89668949
tert-butyl (2S)-2-[5-[4-[9,9-difluoro-7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 89934956

Frequently Asked Questions

What is the IUPAC name of [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The IUPAC name of [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) (CID 59610923) is [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)).
What is the SMILES notation for [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The canonical SMILES for [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)[nH]1.[V+2].[V+2].
What is the InChIKey of [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
The InChIKey is FXGWMQHPFVJATI-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H12F2N4O2P2.2C2H5NO2.2V/c22-21(23)15-5-11(17-7-24-19(26-17)30-9-28)1-3-13(15)14-4-2-12(6-16(14)21)18-8-25-20(27-18)31-10-29;2*1-5-2(3)4;;/h1-8,30-31H,(H,24,26)(H,25,27);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.
What are the key properties of [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+))?
[5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) has a molecular weight of 702.30 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9,9-difluoro-7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+)) is sourced from PubChem (CID 59610923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).