8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C171H153F6Ir4N17O4Si4-8 — CID 159913828

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 159913828) has the molecular formula C171H153F6Ir4N17O4Si4-8 and a molecular weight of 3505.42 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
• PubChem CID: 159913828
• Molecular Formula: C171H153F6Ir4N17O4Si4-8
• Molecular Weight: 3505.42 g/mol
• Exact Mass: 3505.98
• IUPAC Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc(F)cc34)nc3ccccc32)cc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C(F)(F)F)ncc23)nc2ccccc21.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.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-n2c(-c3[c-]cc(C)c4c3oc3nc(F)ccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3oc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H25F3N3O.C30H25FN3O.C28H21FN3O.C26H18FN4O.4C14H16NSi.4Ir/c1-17(2)19-9-7-10-20(18(3)4)28(19)37-25-14-6-5-13-24(25)36-30(37)22-12-8-11-21-23-16-35-27(31(32,33)34)15-26(23)38-29(21)22;1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5;1-28(2,3)17-11-13-19(14-12-17)32-24-10-5-4-9-23(24)31-26(32)21-8-6-7-20-22-15-18(29)16-30-27(22)33-25(20)21;1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h5-11,13-18H,1-4H3;6-9,11-16H,1-5H3;4-7,9-16H,1-3H3;4-8,10-13H,1-3H3;4*4-7,9-11H,1-3H3;;;;/q8*-1
• InChIKey: QBMOEWCFJQRENT-UHFFFAOYSA-N
• XLogP: 42.86
• TPSA: 239.85 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3505.42
LogP ≤ 5	42.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 159913828) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane).

What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ncc(F)cc34)nc3ccccc32)cc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(C(F)(F)F)ncc23)nc2ccccc21.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.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-n2c(-c3[c-]cc(C)c4c3oc3nc(F)ccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]cc(F)c4c3oc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The InChIKey is QBMOEWCFJQRENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N3O.C30H25FN3O.C28H21FN3O.C26H18FN4O.4C14H16NSi.4Ir/c1-17(2)19-9-7-10-20(18(3)4)28(19)37-25-14-6-5-13-24(25)36-30(37)22-12-8-11-21-23-16-35-27(31(32,33)34)15-26(23)38-29(21)22;1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5;1-28(2,3)17-11-13-19(14-12-17)32-24-10-5-4-9-23(24)31-26(32)21-8-6-7-20-22-15-18(29)16-30-27(22)33-25(20)21;1-14-8-9-19(24-23(14)18-10-11-22(27)30-26(18)32-24)25-29-20-6-4-5-7-21(20)31(25)17-12-15(2)28-16(3)13-17;4*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h5-11,13-18H,1-4H3;6-9,11-16H,1-5H3;4-7,9-16H,1-3H3;4-8,10-13H,1-3H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;.

What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 3505.42 g/mol, XLogP of 42.86, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 159913828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).