[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

C32H24F2N6O6P2V2Y-2 — CID 59610566

IUPAC[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
SMILESCOC([NH-])=O.COC([NH-])=O.[CH2-]c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)ccc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y]
InChIInChI=1S/C28H16F2N4O2P2.2C2H5NO2.2V.Y/c1-15-8-16(2-5-19(15)25-12-32-27(34-25)38-14-36)17-3-6-20-21-7-4-18(24-11-31-26(33-24)37-13-35)10-23(21)28(29,30)22(20)9-17;2*1-5-2(3)4;;;/h2-11,37-38H,1H2,(H,31,33)(H,32,34);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2
InChIKeyWRIIAVOVWALGPD-UHFFFAOYSA-L
MW879.32 g/mol
LogP6.58
Rot. Bonds7

About [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

[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 (PubChem CID 59610566) has the molecular formula C32H24F2N6O6P2V2Y-2 and a molecular weight of 879.32 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID59610566
Molecular FormulaC32H24F2N6O6P2V2Y-2
Molecular Weight879.32 g/mol
Exact Mass878.91
IUPAC Name[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
SMILESCOC([NH-])=O.COC([NH-])=O.[CH2-]c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)ccc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y]
InChIInChI=1S/C28H16F2N4O2P2.2C2H5NO2.2V.Y/c1-15-8-16(2-5-19(15)25-12-32-27(34-25)38-14-36)17-3-6-20-21-7-4-18(24-11-31-26(33-24)37-13-35)10-23(21)28(29,30)22(20)9-17;2*1-5-2(3)4;;;/h2-11,37-38H,1H2,(H,31,33)(H,32,34);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2
InChIKeyWRIIAVOVWALGPD-UHFFFAOYSA-L
XLogP6.58
TPSA191.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.32
LogP ≤ 56.58
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 [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC([NH-])=O.COC([NH-])=O.[CH2-]c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc(P[C-]=O)[nH]4)ccc2-3)ccc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y].
What is the InChIKey of [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?
The InChIKey is WRIIAVOVWALGPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H16F2N4O2P2.2C2H5NO2.2V.Y/c1-15-8-16(2-5-19(15)25-12-32-27(34-25)38-14-36)17-3-6-20-21-7-4-18(24-11-31-26(33-24)37-13-35)10-23(21)28(29,30)22(20)9-17;2*1-5-2(3)4;;;/h2-11,37-38H,1H2,(H,31,33)(H,32,34);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2.
What are the key properties of [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?
[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 has a molecular weight of 879.32 g/mol, XLogP of 6.58, 7 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-[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 is sourced from PubChem (CID 59610566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).