[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium

C₅₀H₄₅FGeIrN₄O-2 — CID 156668292

About [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium (PubChem CID 156668292) has the molecular formula C₅₀H₄₅FGeIrN₄O-2 and a molecular weight of 1010.82 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium
• PubChem CID: 156668292
• Molecular Formula: C₅₀H₄₅FGeIrN₄O-2
• Molecular Weight: 1010.82 g/mol
• Exact Mass: 1012.30
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium
• SMILES: [2H]C([2H])([2H])c1cc[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)c1F.[2H]C([2H])([2H])c1ccc(-c2ccnc3c2oc2c(-c4nc5ccccc5n4C([2H])([2H])c4ccccc4)[c-]ccc23)cc1.[Ir]
• InChI: InChI=1S/C32H22N3O.C18H23FGeN.Ir/c1-21-14-16-23(17-15-21)24-18-19-33-29-25-10-7-11-26(30(25)36-31(24)29)32-34-27-12-5-6-13-28(27)35(32)20-22-8-3-2-4-9-22;1-12(2)15-10-17(21-11-16(15)20(4,5)6)14-9-7-8-13(3)18(14)19;/h2-10,12-19H,20H2,1H3;7-8,10-12H,1-6H3;/q2*-1;/i1D3,20D2;3D3,12D
• InChIKey: PHBUXLRNIAJVBP-STUKAXFYSA-N
• XLogP: 12.48
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.82
LogP ≤ 5	12.48
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 [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium (CID 156668292) is [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium is [2H]C([2H])([2H])c1cc[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)c1F.[2H]C([2H])([2H])c1ccc(-c2ccnc3c2oc2c(-c4nc5ccccc5n4C([2H])([2H])c4ccccc4)[c-]ccc23)cc1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?

The InChIKey is PHBUXLRNIAJVBP-STUKAXFYSA-N. The full InChI is InChI=1S/C32H22N3O.C18H23FGeN.Ir/c1-21-14-16-23(17-15-21)24-18-19-33-29-25-10-7-11-26(30(25)36-31(24)29)32-34-27-12-5-6-13-28(27)35(32)20-22-8-3-2-4-9-22;1-12(2)15-10-17(21-11-16(15)20(4,5)6)14-9-7-8-13(3)18(14)19;/h2-10,12-19H,20H2,1H3;7-8,10-12H,1-6H3;/q2*-1;/i1D3,20D2;3D3,12D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium?

[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium has a molecular weight of 1010.82 g/mol, XLogP of 12.48, 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-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;6-[1-[dideuterio(phenyl)methyl]benzimidazol-2-yl]-4-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156668292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156668292 — identifiers, structure, computed properties (public domain)

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