C112H92N24O26P8S3V8 — CID 162201172
methane;methoxycarbonylazanide;[6-[8-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-6H-benzo[c]chromen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzothiophen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;octakis(vanadium(2+)) (PubChem CID 162201172) has the molecular formula C112H92N24O26P8S3V8 and a molecular weight of 2941.65 g/mol. Its IUPAC name is methane;methoxycarbonylazanide;[6-[8-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-6H-benzo[c]chromen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzothiophen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;octakis(vanadium(2+)).
| Compound Name | methane;methoxycarbonylazanide;[6-[8-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-6H-benzo[c]chromen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzothiophen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;octakis(vanadium(2+)) |
|---|---|
| PubChem CID | 162201172 |
| Molecular Formula | C112H92N24O26P8S3V8 |
| Molecular Weight | 2941.65 g/mol |
| Exact Mass | 2939.92 |
| IUPAC Name | methane;methoxycarbonylazanide;[6-[8-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]-6H-benzo[c]chromen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[7-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]dibenzothiophen-3-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;[6-[2-[2-(oxomethylphosphanyl)-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-benzimidazol-2-yl]phosphanylmethanone;octakis(vanadium(2+)) |
| SMILES | C.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.COC([NH-])=O.O=[C-]Pc1ncc(-c2cc3cc4sc(-c5ccc6nc(P[C-]=O)[nH]c6c5)cc4cc3s2)[nH]1.O=[C-]Pc1ncc(-c2ccc3c(c2)COc2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc2-3)[nH]1.O=[C-]Pc1ncc(-c2ccc3c(c2)oc2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc23)[nH]1.O=[C-]Pc1ncc(-c2ccc3c(c2)sc2cc(-c4ccc5nc(P[C-]=O)[nH]c5c4)ccc23)[nH]1.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2] |
| InChI | InChI=1S/C25H16N4O3P2.C24H14N4O3P2.C24H14N4O2P2S.C22H12N4O2P2S2.8C2H5NO2.CH4.8V/c30-12-33-24-26-10-22(29-24)16-2-4-18-17(7-16)11-32-23-9-15(1-5-19(18)23)14-3-6-20-21(8-14)28-25(27-20)34-13-31;29-11-32-23-25-10-20(28-23)15-2-5-17-16-4-1-14(8-21(16)31-22(17)9-15)13-3-6-18-19(7-13)27-24(26-18)33-12-30;29-11-31-23-25-10-20(28-23)15-2-5-17-16-4-1-14(8-21(16)33-22(17)9-15)13-3-6-18-19(7-13)27-24(26-18)32-12-30;27-9-29-21-23-8-16(26-21)20-7-13-6-18-12(5-19(13)32-20)4-17(31-18)11-1-2-14-15(3-11)25-22(24-14)30-10-28;8*1-5-2(3)4;;;;;;;;;/h1-10,33-34H,11H2,(H,26,29)(H,27,28);1-10,32-33H,(H,25,28)(H,26,27);1-10,31-32H,(H,25,28)(H,26,27);1-8,29-30H,(H,23,26)(H,24,25);8*1H3,(H2,3,4);1H4;;;;;;;;/q4*-2;;;;;;;;;;8*+2/p-8 |
| InChIKey | GPMUBHGMNQTOJQ-UHFFFAOYSA-F |
| XLogP | 24.76 |
| TPSA | 789.17 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2941.65 |
| LogP ≤ 5 | 24.76 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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