[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium

C60H48F2IrN4OSi-2 — CID 156667869

About [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium (PubChem CID 156667869) has the molecular formula C60H48F2IrN4OSi-2 and a molecular weight of 1103.39 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium
• PubChem CID: 156667869
• Molecular Formula: C60H48F2IrN4OSi-2
• Molecular Weight: 1103.39 g/mol
• Exact Mass: 1103.35
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium
• SMILES: Fc1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C42H24F2N3O.C18H24NSi.Ir/c43-30-20-17-28(18-21-30)37-24-34-32-13-7-14-33(41(32)48-39(34)25-45-37)42-46-36-16-8-15-35(44)40(36)47(42)38-23-29(26-9-3-1-4-10-26)19-22-31(38)27-11-5-2-6-12-27;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h1-13,15-25H;7-9,11-13H,1-6H3;/q2*-1;/i;3D3,13D
• InChIKey: WSWVAVUYGJHWRM-JYWWSJRKSA-N
• XLogP: 15.59
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.39
LogP ≤ 5	15.59
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 [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium (CID 156667869) is [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium is Fc1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium?

The InChIKey is WSWVAVUYGJHWRM-JYWWSJRKSA-N. The full InChI is InChI=1S/C42H24F2N3O.C18H24NSi.Ir/c43-30-20-17-28(18-21-30)37-24-34-32-13-7-14-33(41(32)48-39(34)25-45-37)42-46-36-16-8-15-35(44)40(36)47(42)38-23-29(26-9-3-1-4-10-26)19-22-31(38)27-11-5-2-6-12-27;1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;/h1-13,15-25H;7-9,11-13H,1-6H3;/q2*-1;/i;3D3,13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium?

[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium has a molecular weight of 1103.39 g/mol, XLogP of 15.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-(4-fluorophenyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium is sourced from PubChem (CID 156667869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).