methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

C37H28N6O7P2V2 — CID 59610480

About methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59610480) has the molecular formula C37H28N6O7P2V2 and a molecular weight of 832.50 g/mol. Its IUPAC name is methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

• Compound Name: methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
• PubChem CID: 59610480
• Molecular Formula: C37H28N6O7P2V2
• Molecular Weight: 832.50 g/mol
• Exact Mass: 832.04
• IUPAC Name: methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c4c(ccc3c2)-c2ccc3cc(-c5ccc6nc(P[C-]=O)[nH]c6c5)ccc3c2OC4)[nH]1.[V+2].[V+2]
• InChI: InChI=1S/C33H20N4O3P2.2C2H5NO2.2V/c38-16-41-32-34-14-30(37-32)22-4-6-23-20(12-22)2-8-25-26-9-3-21-11-18(1-7-24(21)31(26)40-15-27(23)25)19-5-10-28-29(13-19)36-33(35-28)42-17-39;2*1-5-2(3)4;;/h1-14,41-42H,15H2,(H,34,37)(H,35,36);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
• InChIKey: LMUAQNURCREBQP-UHFFFAOYSA-L
• XLogP: 7.83
• TPSA: 200.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.50
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The IUPAC name of methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59610480) is methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

What is the SMILES notation for methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The canonical SMILES for methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c4c(ccc3c2)-c2ccc3cc(-c5ccc6nc(P[C-]=O)[nH]c6c5)ccc3c2OC4)[nH]1.[V+2].[V+2].

What is the InChIKey of methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The InChIKey is LMUAQNURCREBQP-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H20N4O3P2.2C2H5NO2.2V/c38-16-41-32-34-14-30(37-32)22-4-6-23-20(12-22)2-8-25-26-9-3-21-11-18(1-7-24(21)31(26)40-15-27(23)25)19-5-10-28-29(13-19)36-33(35-28)42-17-39;2*1-5-2(3)4;;/h1-14,41-42H,15H2,(H,34,37)(H,35,36);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.

What are the key properties of methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 832.50 g/mol, XLogP of 7.83, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methoxycarbonylazanide;[6-[18-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,15(20),16,18,21-decaen-7-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).