6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
C297H239F9Ge3Ir6N24S6Si3-12 — CID 158112530
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 158112530) has the molecular formula C297H239F9Ge3Ir6N24S6Si3-12 and a molecular weight of 5963.12 g/mol. Its IUPAC name is 6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane).
Molecular Properties
| Compound Name | 6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) |
|---|---|
| PubChem CID | 158112530 |
| Molecular Formula | C297H239F9Ge3Ir6N24S6Si3-12 |
| Molecular Weight | 5963.12 g/mol |
| Exact Mass | 5967.24 |
| IUPAC Name | 6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) |
| SMILES | CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3sc3ccncc34)nc3cc(F)ccc32)c(-c2ccccc2)c1.CC(C)(c1ccccc1)c1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccc(F)c(-c4ccccc4)c3)[c-]cc(F)c12.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2sc2nc(F)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3c(C)cc(-c4ccc(F)cc4)cc3C)[c-]ccc12.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2sc3c4ccccc4cnc3c12.Fc1nc2sc3c(-c4nc5ccccc5n4-c4ccc(-c5ccccc5)cc4)[c-]ccc3c2cc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C39H26F2N3S.C36H21FN3S.C36H29FN3S.C35H19F3N3S.C34H25FN3S.C33H23FN3S.3C14H16GeN.3C14H16NSi.6Ir/c1-39(2,25-13-7-4-8-14-25)34-22-19-27-35-31(41)21-18-28(36(35)45-38(27)43-34)37-42-32-15-9-10-16-33(32)44(37)26-17-20-30(40)29(23-26)24-11-5-3-6-12-24;37-34-29(25-12-5-2-6-13-25)22-30-27-14-9-15-28(33(27)41-36(30)39-34)35-38-31-16-7-8-17-32(31)40(35)26-20-18-24(19-21-26)23-10-3-1-4-11-23;1-21(2)28-19-24(23-11-6-5-7-12-23)20-29(22(3)4)33(28)40-31-16-9-8-15-30(31)38-35(40)27-14-10-13-25-26-17-18-32(37)39-36(26)41-34(25)27;36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-34(2,3)22-12-14-29(26(18-22)21-8-5-4-6-9-21)38-30-15-13-23(35)19-28(30)37-33(38)25-11-7-10-24-27-20-36-17-16-31(27)39-32(24)25;1-19-17-23(22-12-14-24(34)15-13-22)18-20(2)30(19)37-29-10-5-4-9-28(29)36-32(37)27-8-6-7-25-26-16-11-21(3)35-33(26)38-31(25)27;3*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;;;/h3-17,19-23H,1-2H3;1-14,16-22H;5-13,15-22H,1-4H3;1-17,19-20H;4-10,12-20H,1-3H3;4-7,9-18H,1-3H3;6*4-7,9-11H,1-3H3;;;;;;/q12*-1;;;;;; |
| InChIKey | IQCCYYILIASXHP-UHFFFAOYSA-N |
| XLogP | 77.55 |
| TPSA | 261.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 348 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5963.12 |
| LogP ≤ 5 | 77.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
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