methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))

C32H28N6O6P2V2 — CID 59611386

About methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59611386) has the molecular formula C32H28N6O6P2V2 and a molecular weight of 756.45 g/mol. Its IUPAC name is methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

• Compound Name: methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))
• PubChem CID: 59611386
• Molecular Formula: C32H28N6O6P2V2
• Molecular Weight: 756.45 g/mol
• Exact Mass: 756.04
• IUPAC Name: methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c4c(ccc3c2)-c2cc3c(cc2CC4)-c2nc(P[C-]=O)[nH]c2CC3)[nH]1.[V+2].[V+2]
• InChI: InChI=1S/C28H20N4O2P2.2C2H5NO2.2V/c33-13-35-27-29-12-25(31-27)18-3-5-19-15(9-18)1-7-21-20(19)6-2-16-11-23-17(10-22(16)21)4-8-24-26(23)32-28(30-24)36-14-34;2*1-5-2(3)4;;/h1,3,5,7,9-12,35-36H,2,4,6,8H2,(H,29,31)(H,30,32);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
• InChIKey: BTDGSMZIFFTZHI-UHFFFAOYSA-L
• XLogP: 5.83
• TPSA: 191.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.45
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))?

The IUPAC name of methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59611386) is methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)).

What is the SMILES notation for methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))?

The canonical SMILES for methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c4c(ccc3c2)-c2cc3c(cc2CC4)-c2nc(P[C-]=O)[nH]c2CC3)[nH]1.[V+2].[V+2].

What is the InChIKey of methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))?

The InChIKey is BTDGSMZIFFTZHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H20N4O2P2.2C2H5NO2.2V/c33-13-35-27-29-12-25(31-27)18-3-5-19-15(9-18)1-7-21-20(19)6-2-16-11-23-17(10-22(16)21)4-8-24-26(23)32-28(30-24)36-14-34;2*1-5-2(3)4;;/h1,3,5,7,9-12,35-36H,2,4,6,8H2,(H,29,31)(H,30,32);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.

What are the key properties of methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+))?

methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 756.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methoxycarbonylazanide;[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-18,20-diazahexacyclo[12.11.0.02,11.05,10.016,24.017,21]pentacosa-1(14),2(11),3,5(10),6,8,15,17(21),18,24-decaen-19-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59611386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).