methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))

C85H73N15O18P6S4V6 — CID 160586341

About methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))

methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)) (PubChem CID 160586341) has the molecular formula C85H73N15O18P6S4V6 and a molecular weight of 2212.38 g/mol. Its IUPAC name is methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)).

Molecular Properties

• Compound Name: methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))
• PubChem CID: 160586341
• Molecular Formula: C85H73N15O18P6S4V6
• Molecular Weight: 2212.38 g/mol
• Exact Mass: 2210.92
• IUPAC Name: methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))
• SMILES: COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3cc4ccc(-c5cnc(P[C-]=O)[nH]5)cc4s3)cc1CC2.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3cc4sc(-c5cnc(P[C-]=O)[nH]5)cc4s3)cc1CC2.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3ccc4cc(-c5cnc(P[C-]=O)[nH]5)sc4c3)cc1CC2.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2]
• InChI: InChI=1S/2C25H17N3O2P2S.C23H15N3O2P2S2.6C2H5NO2.6V/c29-12-31-23-10-18-4-1-14-7-16(5-6-19(14)24(18)28-23)22-9-17-3-2-15(8-21(17)33-22)20-11-26-25(27-20)32-13-30;29-12-31-23-10-18-4-2-16-7-14(5-6-19(16)24(18)28-23)15-1-3-17-9-22(33-21(17)8-15)20-11-26-25(27-20)32-13-30;27-10-29-21-6-14-2-1-12-5-13(3-4-15(12)22(14)26-21)17-7-19-20(31-17)8-18(32-19)16-9-24-23(25-16)30-11-28;6*1-5-2(3)4;;;;;;/h2-3,5-11,28,31-32H,1,4H2,(H,26,27);1,3,5-11,28,31-32H,2,4H2,(H,26,27);3-9,26,29-30H,1-2H2,(H,24,25);6*1H3,(H2,3,4);;;;;;/q3*-2;;;;;;;6*+2/p-6
• InChIKey: KFHBJVUUELZMTF-UHFFFAOYSA-H
• XLogP: 19.26
• TPSA: 536.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.38
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))?

The IUPAC name of methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)) (CID 160586341) is methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)).

What is the SMILES notation for methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))?

The canonical SMILES for methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)) is COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3cc4ccc(-c5cnc(P[C-]=O)[nH]5)cc4s3)cc1CC2.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3cc4sc(-c5cnc(P[C-]=O)[nH]5)cc4s3)cc1CC2.O=[C-]Pc1cc2c([nH]1)-c1ccc(-c3ccc4cc(-c5cnc(P[C-]=O)[nH]5)sc4c3)cc1CC2.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].

What is the InChIKey of methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))?

The InChIKey is KFHBJVUUELZMTF-UHFFFAOYSA-H. The full InChI is InChI=1S/2C25H17N3O2P2S.C23H15N3O2P2S2.6C2H5NO2.6V/c29-12-31-23-10-18-4-1-14-7-16(5-6-19(14)24(18)28-23)22-9-17-3-2-15(8-21(17)33-22)20-11-26-25(27-20)32-13-30;29-12-31-23-10-18-4-2-16-7-14(5-6-19(16)24(18)28-23)15-1-3-17-9-22(33-21(17)8-15)20-11-26-25(27-20)32-13-30;27-10-29-21-6-14-2-1-12-5-13(3-4-15(12)22(14)26-21)17-7-19-20(31-17)8-18(32-19)16-9-24-23(25-16)30-11-28;6*1-5-2(3)4;;;;;;/h2-3,5-11,28,31-32H,1,4H2,(H,26,27);1,3,5-11,28,31-32H,2,4H2,(H,26,27);3-9,26,29-30H,1-2H2,(H,24,25);6*1H3,(H2,3,4);;;;;;/q3*-2;;;;;;;6*+2/p-6.

What are the key properties of methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+))?

methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)) has a molecular weight of 2212.38 g/mol, XLogP of 19.26, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methoxycarbonylazanide;[7-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-6-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[6-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-1-benzothiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;[7-[5-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[3,2-b]thiophen-2-yl]-4,5-dihydro-1H-benzo[g]indol-2-yl]phosphanylmethanone;hexakis(vanadium(2+)) is sourced from PubChem (CID 160586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).