methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

C30H26N6O6P2V2 — CID 59611185

About methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))

methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (PubChem CID 59611185) has the molecular formula C30H26N6O6P2V2 and a molecular weight of 730.41 g/mol. Its IUPAC name is methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

Molecular Properties

• Compound Name: methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
• PubChem CID: 59611185
• Molecular Formula: C30H26N6O6P2V2
• Molecular Weight: 730.41 g/mol
• Exact Mass: 730.03
• IUPAC Name: methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2]
• InChI: InChI=1S/C26H18N4O2P2.2C2H5NO2.2V/c31-13-33-25-27-12-24(30-25)19-4-7-21-18(10-19)2-1-17-9-15(3-6-20(17)21)16-5-8-22-23(11-16)29-26(28-22)34-14-32;2*1-5-2(3)4;;/h3-12,33-34H,1-2H2,(H,27,30)(H,28,29);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2
• InChIKey: SKECXVFVTMQNNY-UHFFFAOYSA-L
• XLogP: 5.73
• TPSA: 191.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.41
LogP ≤ 5	5.73
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;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The IUPAC name of methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) (CID 59611185) is methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)).

What is the SMILES notation for methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The canonical SMILES for methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.[V+2].[V+2].

What is the InChIKey of methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

The InChIKey is SKECXVFVTMQNNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H18N4O2P2.2C2H5NO2.2V/c31-13-33-25-27-12-24(30-25)19-4-7-21-18(10-19)2-1-17-9-15(3-6-20(17)21)16-5-8-22-23(11-16)29-26(28-22)34-14-32;2*1-5-2(3)4;;/h3-12,33-34H,1-2H2,(H,27,30)(H,28,29);2*1H3,(H2,3,4);;/q-2;;;2*+2/p-2.

What are the key properties of methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+))?

methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) has a molecular weight of 730.41 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methoxycarbonylazanide;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;bis(vanadium(2+)) is sourced from PubChem (CID 59611185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).