2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium

C46H43FIrN4O-2 — CID 164827114

About 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium

2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium (PubChem CID 164827114) has the molecular formula C46H43FIrN4O-2 and a molecular weight of 882.11 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
• PubChem CID: 164827114
• Molecular Formula: C46H43FIrN4O-2
• Molecular Weight: 882.11 g/mol
• Exact Mass: 882.32
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
• SMILES: Cc1nc(C)c2c(nc(-c3[c-]ccc4c3oc3ccccc34)n2-c2c(C(C)C)cccc2C(C)C)c1C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)c(F)c1.[Ir]
• InChI: InChI=1S/C33H32N3O.C13H11FN.Ir/c1-18(2)23-13-10-14-24(19(3)4)31(23)36-30-22(7)34-21(6)20(5)29(30)35-33(36)27-16-11-15-26-25-12-8-9-17-28(25)37-32(26)27;1-9-3-5-11(12(14)7-9)13-6-4-10(2)8-15-13;/h8-15,17-19H,1-7H3;3-4,6-8H,1-2H3;/q2*-1;/i;1D3
• InChIKey: OSUNDCZGFQLYKE-ICMJTWPQSA-N
• XLogP: 12.26
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.11
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium (CID 164827114) is 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium is Cc1nc(C)c2c(nc(-c3[c-]ccc4c3oc3ccccc34)n2-c2c(C(C)C)cccc2C(C)C)c1C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)c(F)c1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?

The InChIKey is OSUNDCZGFQLYKE-ICMJTWPQSA-N. The full InChI is InChI=1S/C33H32N3O.C13H11FN.Ir/c1-18(2)23-13-10-14-24(19(3)4)31(23)36-30-22(7)34-21(6)20(5)29(30)35-33(36)27-16-11-15-26-25-12-8-9-17-28(25)37-32(26)27;1-9-3-5-11(12(14)7-9)13-6-4-10(2)8-15-13;/h8-15,17-19H,1-7H3;3-4,6-8H,1-2H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?

2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium has a molecular weight of 882.11 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4,6,7-trimethylimidazo[4,5-c]pyridine;2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-methylpyridine;iridium is sourced from PubChem (CID 164827114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).