methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

C28H22N6O6P2V2 — CID 59611168

IUPACmethoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(C#Cc2ccc3cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc3c2)[nH]1.[V+2].[V+2]
InChIInChI=1S/C24H14N4O2P2.2C2H5NO2.2V/c29-13-31-23-25-12-20(26-23)7-2-15-1-3-17-10-18(5-4-16(17)9-15)19-6-8-21-22(11-19)28-24(27-21)32-14-30;2*1-5-2(3)4;;/h1,3-6,8-12,31-32H,(H,25,26)(H,27,28);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyQMPOTWFKLHAROR-UHFFFAOYSA-L
MW702.36 g/mol
LogP4.85
Rot. Bonds5

About methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59611168) has the molecular formula C28H22N6O6P2V2 and a molecular weight of 702.36 g/mol. Its IUPAC name is methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

Compound Namemethoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
PubChem CID59611168
Molecular FormulaC28H22N6O6P2V2
Molecular Weight702.36 g/mol
Exact Mass702.00
IUPAC Namemethoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(C#Cc2ccc3cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc3c2)[nH]1.[V+2].[V+2]
InChIInChI=1S/C24H14N4O2P2.2C2H5NO2.2V/c29-13-31-23-25-12-20(26-23)7-2-15-1-3-17-10-18(5-4-16(17)9-15)19-6-8-21-22(11-19)28-24(27-21)32-14-30;2*1-5-2(3)4;;/h1,3-6,8-12,31-32H,(H,25,26)(H,27,28);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyQMPOTWFKLHAROR-UHFFFAOYSA-L
XLogP4.85
TPSA191.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.36
LogP ≤ 54.85
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The IUPAC name of methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59611168) is methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).
What is the SMILES notation for methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The canonical SMILES for methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(C#Cc2ccc3cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc3c2)[nH]1.[V+2].[V+2].
What is the InChIKey of methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The InChIKey is QMPOTWFKLHAROR-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H14N4O2P2.2C2H5NO2.2V/c29-13-31-23-25-12-20(26-23)7-2-15-1-3-17-10-18(5-4-16(17)9-15)19-6-8-21-22(11-19)28-24(27-21)32-14-30;2*1-5-2(3)4;;/h1,3-6,8-12,31-32H,(H,25,26)(H,27,28);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.
What are the key properties of methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 702.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonylazanide;[6-[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59611168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).