[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium

C40H43FGeIrN2O-2 — CID 164711743

About [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium (PubChem CID 164711743) has the molecular formula C40H43FGeIrN2O-2 and a molecular weight of 857.66 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium
• PubChem CID: 164711743
• Molecular Formula: C40H43FGeIrN2O-2
• Molecular Weight: 857.66 g/mol
• Exact Mass: 859.26
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;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])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C(C)(C)C.[Ir]
• InChI: InChI=1S/C22H20NO.C18H23FGeN.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-12(2)15-10-18(21-11-17(15)20(4,5)6)14-8-7-13(3)9-16(14)19;/h4-8,10-13H,14H2,1-3H3;7,9-12H,1-6H3;/q2*-1;/i14D2;3D3,12D
• InChIKey: BPWOCCYRZOGREU-SDTNCQOISA-N
• XLogP: 10.70
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.66
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium (CID 164711743) is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;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;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;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])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C(C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium?

The InChIKey is BPWOCCYRZOGREU-SDTNCQOISA-N. The full InChI is InChI=1S/C22H20NO.C18H23FGeN.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-12(2)15-10-18(21-11-17(15)20(4,5)6)14-8-7-13(3)9-16(14)19;/h4-8,10-13H,14H2,1-3H3;7,9-12H,1-6H3;/q2*-1;/i14D2;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;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium has a molecular weight of 857.66 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;iridium is sourced from PubChem (CID 164711743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).