4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)

C142H119F4Ir3N13O3Si3-6 — CID 160653215

About 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)

4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 160653215) has the molecular formula C142H119F4Ir3N13O3Si3-6 and a molecular weight of 2792.50 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• PubChem CID: 160653215
• Molecular Formula: C142H119F4Ir3N13O3Si3-6
• Molecular Weight: 2792.50 g/mol
• Exact Mass: 2792.77
• IUPAC Name: 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)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.Cc1cc(-n2c(-c3[c-]cc(-c4ccc(F)cc4)c4c3oc3ncccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nccc(-c5cc(F)cc(F)c5)c34)nc3ccccc32)c(C)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H29FN3O.C33H22F2N3O.C31H20FN4O.3C14H16NSi.3Ir/c1-21(2)25-9-7-10-26(22(3)4)33(25)40-32-14-6-5-13-31(32)38-35(40)29-12-8-11-27-28-19-20-30(39-36(28)41-34(27)29)23-15-17-24(37)18-16-23;1-18-13-19(2)30(20(3)14-18)38-28-10-5-4-9-27(28)37-32(38)26-8-6-7-25-29-24(11-12-36-33(29)39-31(25)26)21-15-22(34)17-23(35)16-21;1-18-16-22(17-19(2)34-18)36-27-8-4-3-7-26(27)35-30(36)25-14-13-23(20-9-11-21(32)12-10-20)28-24-6-5-15-33-31(24)37-29(25)28;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h5-11,13-22H,1-4H3;4-7,9-17H,1-3H3;3-13,15-17H,1-2H3;3*4-7,9-11H,1-3H3;;;/q6*-1
• InChIKey: HUQCIVKZAYWDOS-UHFFFAOYSA-N
• XLogP: 35.38
• TPSA: 183.11 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.50
LogP ≤ 5	35.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The IUPAC name of 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 160653215) is 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

What is the SMILES notation for 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The canonical SMILES for 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)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.Cc1cc(-n2c(-c3[c-]cc(-c4ccc(F)cc4)c4c3oc3ncccc34)nc3ccccc32)cc(C)n1.Cc1cc(C)c(-n2c(-c3[c-]ccc4c3oc3nccc(-c5cc(F)cc(F)c5)c34)nc3ccccc32)c(C)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The InChIKey is HUQCIVKZAYWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN3O.C33H22F2N3O.C31H20FN4O.3C14H16NSi.3Ir/c1-21(2)25-9-7-10-26(22(3)4)33(25)40-32-14-6-5-13-31(32)38-35(40)29-12-8-11-27-28-19-20-30(39-36(28)41-34(27)29)23-15-17-24(37)18-16-23;1-18-13-19(2)30(20(3)14-18)38-28-10-5-4-9-27(28)37-32(38)26-8-6-7-25-29-24(11-12-36-33(29)39-31(25)26)21-15-22(34)17-23(35)16-21;1-18-16-22(17-19(2)34-18)36-27-8-4-3-7-26(27)35-30(36)25-14-13-23(20-9-11-21(32)12-10-20)28-24-6-5-15-33-31(24)37-29(25)28;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h5-11,13-22H,1-4H3;4-7,9-17H,1-3H3;3-13,15-17H,1-2H3;3*4-7,9-11H,1-3H3;;;/q6*-1;;;.

What are the key properties of 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 2792.50 g/mol, XLogP of 35.38, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-difluorophenyl)-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 160653215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).