C107H73N20O4Rh4- — CID 157224593
6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-ylpyrido[2,3-b]indole;bis(rhodium);bis(rhodium(2+)) (PubChem CID 157224593) has the molecular formula C107H73N20O4Rh4- and a molecular weight of 2114.52 g/mol. Its IUPAC name is 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-ylpyrido[2,3-b]indole;bis(rhodium);bis(rhodium(2+)).
| Compound Name | 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-ylpyrido[2,3-b]indole;bis(rhodium);bis(rhodium(2+)) |
|---|---|
| PubChem CID | 157224593 |
| Molecular Formula | C107H73N20O4Rh4- |
| Molecular Weight | 2114.52 g/mol |
| Exact Mass | 2113.23 |
| IUPAC Name | 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;6-(3,4-dimethylpyrrolo[2,3-d]imidazol-3-ium-1-id-6-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylpyridin-2-amine;2-(1-methyl-2H-indol-2-id-3-yl)-4-(6-pyrazol-1-yl-2-pyridinyl)pyrrolo[2,3-d][1,3]oxazole;9-(6-phenyl-2-pyridinyl)-2-pyridin-2-ylpyrido[2,3-b]indole;bis(rhodium);bis(rhodium(2+)) |
| SMILES | Cn1[c-]c(-c2nc3c(ccn3-c3cccc(-n4cccn4)n3)o2)c2ccccc21.Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[n-]c[n+](C)c21.[Rh+2].[Rh+2].[Rh].[Rh].[c-]1ccccc1-c1cccc(-n2c3ccccc3c3ccc(-c4ccccn4)nc32)n1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12 |
| InChI | InChI=1S/C32H20N4O.C27H17N4.C26H21N6O2.C22H15N6O.4Rh/c1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-2-9-19(10-3-1)22-13-8-15-26(29-22)31-25-14-5-4-11-20(25)21-16-17-24(30-27(21)31)23-12-6-7-18-28-23;1-30-14-21(24-25(30)31(2)17-28-24)22-9-6-10-23(29-22)32(19-7-4-3-5-8-19)16-27-13-18-15-34-26-20(18)11-12-33-26;1-26-14-16(15-6-2-3-7-17(15)26)22-25-21-18(29-22)10-13-27(21)19-8-4-9-20(24-19)28-12-5-11-23-28;;;;/h1-13,15-19,21-22H;1-9,11-18H;3-10,12-15,17H,16H2,1-2H3;2-13H,1H3;;;;/q-2;3*-1;;;2*+2 |
| InChIKey | BGDPRXFVGUNDDR-UHFFFAOYSA-N |
| XLogP | 22.53 |
| TPSA | 234.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2114.52 |
| LogP ≤ 5 | 22.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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