methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

C26H22N6O8P2V2 — CID 59610860

IUPACmethoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc(P[C-]=O)[nH]5)cc(c2-4)OC3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C22H14N4O4P2.2C2H5NO2.2V/c27-9-31-21-23-5-15(25-21)11-1-13-7-29-18-4-12(16-6-24-22(26-16)32-10-28)2-14-8-30-17(3-11)19(13)20(14)18;2*1-5-2(3)4;;/h1-6,31-32H,7-8H2,(H,23,25)(H,24,26);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyUAJNMOYXARRRLH-UHFFFAOYSA-L
MW710.33 g/mol
LogP4.27
Rot. Bonds6

About methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59610860) has the molecular formula C26H22N6O8P2V2 and a molecular weight of 710.33 g/mol. Its IUPAC name is methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

Compound Namemethoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
PubChem CID59610860
Molecular FormulaC26H22N6O8P2V2
Molecular Weight710.33 g/mol
Exact Mass709.99
IUPAC Namemethoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
SMILESCOC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc(P[C-]=O)[nH]5)cc(c2-4)OC3)[nH]1.[V+2].[V+2]
InChIInChI=1S/C22H14N4O4P2.2C2H5NO2.2V/c27-9-31-21-23-5-15(25-21)11-1-13-7-29-18-4-12(16-6-24-22(26-16)32-10-28)2-14-8-30-17(3-11)19(13)20(14)18;2*1-5-2(3)4;;/h1-6,31-32H,7-8H2,(H,23,25)(H,24,26);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
InChIKeyUAJNMOYXARRRLH-UHFFFAOYSA-L
XLogP4.27
TPSA210.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The IUPAC name of methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59610860) is methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).
What is the SMILES notation for methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The canonical SMILES for methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc(P[C-]=O)[nH]5)cc(c2-4)OC3)[nH]1.[V+2].[V+2].
What is the InChIKey of methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
The InChIKey is UAJNMOYXARRRLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H14N4O4P2.2C2H5NO2.2V/c27-9-31-21-23-5-15(25-21)11-1-13-7-29-18-4-12(16-6-24-22(26-16)32-10-28)2-14-8-30-17(3-11)19(13)20(14)18;2*1-5-2(3)4;;/h1-6,31-32H,7-8H2,(H,23,25)(H,24,26);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.
What are the key properties of methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?
methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 710.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonylazanide;[5-[13-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59610860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).