2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
C222H188Ge4Ir4N16O4-8 — CID 158162351
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) (PubChem CID 158162351) has the molecular formula C222H188Ge4Ir4N16O4-8 and a molecular weight of 4223.48 g/mol. Its IUPAC name is 2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane).
Molecular Properties
| Compound Name | 2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) |
|---|---|
| PubChem CID | 158162351 |
| Molecular Formula | C222H188Ge4Ir4N16O4-8 |
| Molecular Weight | 4223.48 g/mol |
| Exact Mass | 4229.17 |
| IUPAC Name | 2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-(3-phenylphenyl)benzimidazol-2-yl]-1,3-bis[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;2-phenyl-8-[1-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) |
| SMILES | 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[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2cc3oc4c(-c5nc6ccccc6n5-c5cccc(-c6ccccc6)c5)[c-]ccc4c3c(-c3ccc(C([2H])([2H])[2H])cc3)n2)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(n2)oc2c(-c4nc5ccccc5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)[c-]ccc23)cc1.[2H]C([2H])(c1ccccc1)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-n2c(-c3[c-]ccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C44H30N3O.2C43H36N3O.C36H22N3O.4C14H16GeN.4Ir/c1-28-18-22-31(23-19-28)38-27-40-41(42(45-38)32-24-20-29(2)21-25-32)35-14-9-15-36(43(35)48-40)44-46-37-16-6-7-17-39(37)47(44)34-13-8-12-33(26-34)30-10-4-3-5-11-30;1-26(2)35-24-31(29-12-7-6-8-13-29)25-36(27(3)4)40(35)46-39-17-10-9-16-38(39)44-42(46)34-15-11-14-32-33-22-23-37(45-43(33)47-41(32)34)30-20-18-28(5)19-21-30;1-27(2)36-25-31(30-16-9-6-10-17-30)26-37(28(3)4)40(36)46-39-21-12-11-20-38(39)45-42(46)35-19-13-18-33-34-23-22-32(44-43(34)47-41(33)35)24-29-14-7-5-8-15-29;1-3-12-24(13-4-1)26-16-7-9-20-32(26)39-33-21-10-8-19-31(33)37-35(39)29-18-11-17-27-28-22-23-30(25-14-5-2-6-15-25)38-36(28)40-34(27)29;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;;;;/h3-14,16-27H,1-2H3;6-14,16-27H,1-5H3;5-18,20-23,25-28H,24H2,1-4H3;1-17,19-23H;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;/i1D3,2D3;5D3;24D2;1D,3D,4D,7D,9D,12D,13D,16D,20D;;;;;;;; |
| InChIKey | RKJNEDDRMZXZND-BINVMTPGSA-N |
| XLogP | 55.86 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 250 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4223.48 |
| LogP ≤ 5 | 55.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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Sources
- PubChem CID 158162351 — identifiers, structure, computed properties (public domain)
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