[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium

C56H56FGeIrN3O-2 — CID 156658635

About [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium (PubChem CID 156658635) has the molecular formula C56H56FGeIrN3O-2 and a molecular weight of 1077.95 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
• PubChem CID: 156658635
• Molecular Formula: C56H56FGeIrN3O-2
• Molecular Weight: 1077.95 g/mol
• Exact Mass: 1079.37
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)c(F)c1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4nc5ccccc5n4-c4c(C(C)C)cccc4C(C)C)[c-]ccc23)cc1.[Ir]
• InChI: InChI=1S/C38H33N2O.C18H23FGeN.Ir/c1-23(2)28-10-8-11-29(24(3)4)36(28)40-34-15-7-6-14-33(34)39-38(40)32-13-9-12-31-30-21-20-27(22-35(30)41-37(31)32)26-18-16-25(5)17-19-26;1-12(2)15-10-18(21-11-17(15)20(4,5)6)14-8-7-13(3)9-16(14)19;/h6-12,14-24H,1-5H3;7,9-12H,1-6H3;/q2*-1;/i5D3;3D3,12D
• InChIKey: VEYFKBTUMQUBCC-OKIKANAYSA-N
• XLogP: 15.28
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.95
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium (CID 156658635) is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)c(F)c1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(c2)oc2c(-c4nc5ccccc5n4-c4c(C(C)C)cccc4C(C)C)[c-]ccc23)cc1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?

The InChIKey is VEYFKBTUMQUBCC-OKIKANAYSA-N. The full InChI is InChI=1S/C38H33N2O.C18H23FGeN.Ir/c1-23(2)28-10-8-11-29(24(3)4)36(28)40-34-15-7-6-14-33(34)39-38(40)32-13-9-12-31-30-21-20-27(22-35(30)41-37(31)32)26-18-16-25(5)17-19-26;1-12(2)15-10-18(21-11-17(15)20(4,5)6)14-8-7-13(3)9-16(14)19;/h6-12,14-24H,1-5H3;7,9-12H,1-6H3;/q2*-1;/i5D3;3D3,12D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium?

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium has a molecular weight of 1077.95 g/mol, XLogP of 15.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;1-[2,6-di(propan-2-yl)phenyl]-2-[7-[4-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium is sourced from PubChem (CID 156658635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).