8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C₁₅₈H₁₅₂F₁₂Ge₄Ir₄N₁₆O₄-8 — CID 158218978

About 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 158218978) has the molecular formula C₁₅₈H₁₅₂F₁₂Ge₄Ir₄N₁₆O₄-8 and a molecular weight of 3626.35 g/mol. Its IUPAC name is 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

• Compound Name: 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• PubChem CID: 158218978
• Molecular Formula: C₁₅₈H₁₅₂F₁₂Ge₄Ir₄N₁₆O₄-8
• Molecular Weight: 3626.35 g/mol
• Exact Mass: 3632.74
• IUPAC Name: 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
• SMILES: CC(C)(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.Cn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H17F3N3O.C22H15F3N3O.C21H13F3N3O.C20H11F3N3O.4C18H24GeN.4Ir/c1-22(2,3)29-17-10-5-4-9-16(17)27-20(29)15-8-6-7-13-14-11-12-18(23(24,25)26)28-21(14)30-19(13)15;1-12(2)28-17-9-4-3-8-16(17)26-20(28)15-7-5-6-13-14-10-11-18(22(23,24)25)27-21(14)29-19(13)15;1-2-27-16-9-4-3-8-15(16)25-19(27)14-7-5-6-12-13-10-11-17(21(22,23)24)26-20(13)28-18(12)14;1-26-15-8-3-2-7-14(15)24-18(26)13-6-4-5-11-12-9-10-16(20(21,22)23)25-19(12)27-17(11)13;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h4-7,9-12H,1-3H3;3-6,8-12H,1-2H3;3-6,8-11H,2H2,1H3;2-5,7-10H,1H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1
• InChIKey: FXPMGQGPMOQMNM-UHFFFAOYSA-N
• XLogP: 41.32
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3626.35
LogP ≤ 5	41.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The IUPAC name of 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 158218978) is 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

What is the SMILES notation for 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The canonical SMILES for 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)n1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.Cn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

The InChIKey is FXPMGQGPMOQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N3O.C22H15F3N3O.C21H13F3N3O.C20H11F3N3O.4C18H24GeN.4Ir/c1-22(2,3)29-17-10-5-4-9-16(17)27-20(29)15-8-6-7-13-14-11-12-18(23(24,25)26)28-21(14)30-19(13)15;1-12(2)28-17-9-4-3-8-16(17)26-20(28)15-7-5-6-13-14-10-11-18(22(23,24)25)27-21(14)29-19(13)15;1-2-27-16-9-4-3-8-15(16)25-19(27)14-7-5-6-12-13-10-11-17(21(22,23)24)26-20(13)28-18(12)14;1-26-15-8-3-2-7-14(15)24-18(26)13-6-4-5-11-12-9-10-16(20(21,22)23)25-19(12)27-17(11)13;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h4-7,9-12H,1-3H3;3-6,8-12H,1-2H3;3-6,8-11H,2H2,1H3;2-5,7-10H,1H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;.

What are the key properties of 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?

8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 3626.35 g/mol, XLogP of 41.32, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-ethylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(1-propan-2-ylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 158218978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158218978 — identifiers, structure, computed properties (public domain)

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