8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)

C167H143F3Ir3N12O4SSi3-6 — CID 159143120

About 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)

8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium) (PubChem CID 159143120) has the molecular formula C167H143F3Ir3N12O4SSi3-6 and a molecular weight of 3136.06 g/mol. Its IUPAC name is 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium).

Molecular Properties

• Compound Name: 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)
• PubChem CID: 159143120
• Molecular Formula: C167H143F3Ir3N12O4SSi3-6
• Molecular Weight: 3136.06 g/mol
• Exact Mass: 3135.95
• IUPAC Name: 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)
• SMILES: CC(C)c1cc(C(C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)nc2ccccc21.Fc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ncccc4c23)cc1.Fc1ccc2nc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)[c-]ccc4c3cc2c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)c1ccccc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C40H37FN3O.C36H19FN3O2.C34H17FN3OS.C23H26NSi.2C17H22NSi.3Ir/c1-23(2)31-21-26(40(5,6)7)22-32(24(3)4)36(31)44-35-14-9-8-13-34(35)42-38(44)30-12-10-11-28-29-19-20-33(43-39(29)45-37(28)30)25-15-17-27(41)18-16-25;37-22-16-14-21(15-17-22)23-18-19-27(34-32(23)26-9-6-20-38-36(26)42-34)35-39-28-10-2-3-11-29(28)40(35)30-12-5-8-25-24-7-1-4-13-31(24)41-33(25)30;35-20-12-14-27-19(16-20)17-26-23-7-5-8-24(32(23)39-34(26)37-27)33-36-28-9-2-3-10-29(28)38(33)21-13-15-31-25(18-21)22-6-1-4-11-30(22)40-31;1-18(19-11-7-5-8-12-19)15-21-16-22(20-13-9-6-10-14-20)24-17-23(21)25(2,3)4;2*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;/h8-11,13-24H,1-7H3;1-18,20H;1-7,9-18H;5-13,16-18H,15H2,1-4H3;2*6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;15D2;2*13D
• InChIKey: RTRKGZXTVXQSKC-KDRCCOCYSA-N
• XLogP: 43.94
• TPSA: 183.36 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3136.06
LogP ≤ 5	43.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)?

The IUPAC name of 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium) (CID 159143120) is 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium).

What is the SMILES notation for 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)?

The canonical SMILES for 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium) is CC(C)c1cc(C(C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)nc2ccccc21.Fc1ccc(-c2c[c-]c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)c3oc4ncccc4c23)cc1.Fc1ccc2nc3oc4c(-c5nc6ccccc6n5-c5ccc6sc7ccccc7c6c5)[c-]ccc4c3cc2c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)c1ccccc1.[Ir].[Ir].[Ir].

What is the InChIKey of 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)?

The InChIKey is RTRKGZXTVXQSKC-KDRCCOCYSA-N. The full InChI is InChI=1S/C40H37FN3O.C36H19FN3O2.C34H17FN3OS.C23H26NSi.2C17H22NSi.3Ir/c1-23(2)31-21-26(40(5,6)7)22-32(24(3)4)36(31)44-35-14-9-8-13-34(35)42-38(44)30-12-10-11-28-29-19-20-33(43-39(29)45-37(28)30)25-15-17-27(41)18-16-25;37-22-16-14-21(15-17-22)23-18-19-27(34-32(23)26-9-6-20-38-36(26)42-34)35-39-28-10-2-3-11-29(28)40(35)30-12-5-8-25-24-7-1-4-13-31(24)41-33(25)30;35-20-12-14-27-19(16-20)17-26-23-7-5-8-24(32(23)39-34(26)37-27)33-36-28-9-2-3-10-29(28)38(33)21-13-15-31-25(18-21)22-6-1-4-11-30(22)40-31;1-18(19-11-7-5-8-12-19)15-21-16-22(20-13-9-6-10-14-20)24-17-23(21)25(2,3)4;2*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;/h8-11,13-24H,1-7H3;1-18,20H;1-7,9-18H;5-13,16-18H,15H2,1-4H3;2*6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;15D2;2*13D;;;.

What are the key properties of 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)?

8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium) has a molecular weight of 3136.06 g/mol, XLogP of 43.94, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium) is sourced from PubChem (CID 159143120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).