[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium

C29H24N6O6P2V2Y-2 — CID 59611474

IUPAC[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium
SMILESCOC([NH-])=O.COC([NH-])=O.[CH2-]c1cc2cc(-c3ccc(-c4cnc(P[C-]=O)[nH]4)cc3)ccc2cc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y]
InChIInChI=1S/C25H16N4O2P2.2C2H5NO2.2V.Y/c1-15-8-20-9-18(6-7-19(20)10-21(15)23-12-27-25(29-23)33-14-31)16-2-4-17(5-3-16)22-11-26-24(28-22)32-13-30;2*1-5-2(3)4;;;/h2-11,32-33H,1H2,(H,26,28)(H,27,29);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2
InChIKeyRHXDTJGVYFJMLA-UHFFFAOYSA-L
MW805.29 g/mol
LogP5.61
Rot. Bonds7

About [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium

[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium (PubChem CID 59611474) has the molecular formula C29H24N6O6P2V2Y-2 and a molecular weight of 805.29 g/mol. Its IUPAC name is [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium.

Molecular Properties

Compound Name[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium
PubChem CID59611474
Molecular FormulaC29H24N6O6P2V2Y-2
Molecular Weight805.29 g/mol
Exact Mass804.92
IUPAC Name[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium
SMILESCOC([NH-])=O.COC([NH-])=O.[CH2-]c1cc2cc(-c3ccc(-c4cnc(P[C-]=O)[nH]4)cc3)ccc2cc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y]
InChIInChI=1S/C25H16N4O2P2.2C2H5NO2.2V.Y/c1-15-8-20-9-18(6-7-19(20)10-21(15)23-12-27-25(29-23)33-14-31)16-2-4-17(5-3-16)22-11-26-24(28-22)32-13-30;2*1-5-2(3)4;;;/h2-11,32-33H,1H2,(H,26,28)(H,27,29);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2
InChIKeyRHXDTJGVYFJMLA-UHFFFAOYSA-L
XLogP5.61
TPSA191.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.29
LogP ≤ 55.61
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-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium?
The IUPAC name of [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium (CID 59611474) is [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium.
What is the SMILES notation for [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium?
The canonical SMILES for [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium is COC([NH-])=O.COC([NH-])=O.[CH2-]c1cc2cc(-c3ccc(-c4cnc(P[C-]=O)[nH]4)cc3)ccc2cc1-c1[c-]nc(P[C-]=O)[nH]1.[V+2].[V+2].[Y].
What is the InChIKey of [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium?
The InChIKey is RHXDTJGVYFJMLA-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H16N4O2P2.2C2H5NO2.2V.Y/c1-15-8-20-9-18(6-7-19(20)10-21(15)23-12-27-25(29-23)33-14-31)16-2-4-17(5-3-16)22-11-26-24(28-22)32-13-30;2*1-5-2(3)4;;;/h2-11,32-33H,1H2,(H,26,28)(H,27,29);2*1H3,(H2,3,4);;;/q-4;;;2*+2;/p-2.
What are the key properties of [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium?
[5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium has a molecular weight of 805.29 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[7-methanidyl-6-[2-(oxomethylphosphanyl)-1,4-dihydroimidazol-4-id-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanylmethanone;methoxycarbonylazanide;bis(vanadium(2+));yttrium is sourced from PubChem (CID 59611474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).