[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C53H50IrN4O2Si-2 — CID 156670577

About [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156670577) has the molecular formula C53H50IrN4O2Si-2 and a molecular weight of 997.32 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156670577
• Molecular Formula: C53H50IrN4O2Si-2
• Molecular Weight: 997.32 g/mol
• Exact Mass: 997.35
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C)C(C)C.[Ir]
• InChI: InChI=1S/C31H18N3O2.C22H32NSi.Ir/c1-18-16-17-22-21-9-6-11-23(28(21)36-31(22)32-18)30-33-24-12-3-4-13-25(24)34(30)26-14-7-10-20-19-8-2-5-15-27(19)35-29(20)26;1-16(2)12-18-14-20(23-15-21(18)24(6,7)8)17-10-9-11-19(13-17)22(3,4)5;/h2-10,12-17H,1H3;9,11,13-16H,12H2,1-8H3;/q2*-1;/i;12D2
• InChIKey: JWCJDJSXYKLMHL-KKSLKZBJSA-N
• XLogP: 13.58
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.32
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156670577) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3cccc4c3oc3ccccc34)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C)C(C)C.[Ir].

What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is JWCJDJSXYKLMHL-KKSLKZBJSA-N. The full InChI is InChI=1S/C31H18N3O2.C22H32NSi.Ir/c1-18-16-17-22-21-9-6-11-23(28(21)36-31(22)32-18)30-33-24-12-3-4-13-25(24)34(30)26-14-7-10-20-19-8-2-5-15-27(19)35-29(20)26;1-16(2)12-18-14-20(23-15-21(18)24(6,7)8)17-10-9-11-19(13-17)22(3,4)5;/h2-10,12-17H,1H3;9,11,13-16H,12H2,1-8H3;/q2*-1;/i;12D2;.

What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 997.32 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156670577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).