8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium

C56H56F4IrN4OSi-2 — CID 156667762

About 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium

8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156667762) has the molecular formula C56H56F4IrN4OSi-2 and a molecular weight of 1100.40 g/mol. Its IUPAC name is 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156667762
• Molecular Formula: C56H56F4IrN4OSi-2
• Molecular Weight: 1100.40 g/mol
• Exact Mass: 1100.40
• IUPAC Name: 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cccc(C(C)C)c1CCCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccc3ccccc3c21.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)c1F.[Ir]
• InChI: InChI=1S/C38H33F3N3O.C18H23FNSi.Ir/c1-22(2)25-12-7-13-26(23(3)4)28(25)16-9-21-44-34-27-11-6-5-10-24(27)17-19-32(34)42-36(44)31-15-8-14-29-30-18-20-33(38(39,40)41)43-37(30)45-35(29)31;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h5-8,10-14,17-20,22-23H,9,16,21H2,1-4H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3
• InChIKey: HFMMBHXEJGXSBM-UMJUAPLUSA-N
• XLogP: 15.51
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1100.40
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium (CID 156667762) is 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium is CC(C)c1cccc(C(C)C)c1CCCn1c(-c2[c-]ccc3c2oc2nc(C(F)(F)F)ccc23)nc2ccc3ccccc3c21.[2H]C([2H])([2H])c1cc[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)c1F.[Ir].

What is the InChIKey of 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is HFMMBHXEJGXSBM-UMJUAPLUSA-N. The full InChI is InChI=1S/C38H33F3N3O.C18H23FNSi.Ir/c1-22(2)25-12-7-13-26(23(3)4)28(25)16-9-21-44-34-27-11-6-5-10-24(27)17-19-32(34)42-36(44)31-15-8-14-29-30-18-20-33(38(39,40)41)43-37(30)45-35(29)31;1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19;/h5-8,10-14,17-20,22-23H,9,16,21H2,1-4H3;7-8,10-12H,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium?

8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1100.40 g/mol, XLogP of 15.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[3-[2,6-di(propan-2-yl)phenyl]propyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156667762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).