[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium

C₄₄H₅₁IrN₅OSi-2 — CID 156670810

About [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium

[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium (PubChem CID 156670810) has the molecular formula C₄₄H₅₁IrN₅OSi-2 and a molecular weight of 886.23 g/mol. Its IUPAC name is [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium.

Molecular Properties

• Compound Name: [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium
• PubChem CID: 156670810
• Molecular Formula: C₄₄H₅₁IrN₅OSi-2
• Molecular Weight: 886.23 g/mol
• Exact Mass: 886.35
• IUPAC Name: [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium
• SMILES: CCC(C)(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCn1c(-c2[c-]cc3c(c2)oc2nc(C)ccc23)nc2ccnc(C(C)C)c21.[Ir]
• InChI: InChI=1S/C23H21N4O.C21H30NSi.Ir/c1-5-27-21-18(10-11-24-20(21)13(2)3)26-22(27)15-7-9-16-17-8-6-14(4)25-23(17)28-19(16)12-15;1-8-21(3,4)16(2)18-14-19(17-12-10-9-11-13-17)22-15-20(18)23(5,6)7;/h6,8-13H,5H2,1-4H3;9-12,14-16H,8H2,1-7H3;/q2*-1
• InChIKey: RRTXLOJIBIJDIL-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.23
LogP ≤ 5	11.28
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 [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?

The IUPAC name of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium (CID 156670810) is [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium.

What is the SMILES notation for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?

The canonical SMILES for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium is CCC(C)(C)C(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCn1c(-c2[c-]cc3c(c2)oc2nc(C)ccc23)nc2ccnc(C(C)C)c21.[Ir].

What is the InChIKey of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?

The InChIKey is RRTXLOJIBIJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N4O.C21H30NSi.Ir/c1-5-27-21-18(10-11-24-20(21)13(2)3)26-22(27)15-7-9-16-17-8-6-14(4)25-23(17)28-19(16)12-15;1-8-21(3,4)16(2)18-14-19(17-12-10-9-11-13-17)22-15-20(18)23(5,6)7;/h6,8-13H,5H2,1-4H3;9-12,14-16H,8H2,1-7H3;/q2*-1;.

What are the key properties of [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium?

[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium has a molecular weight of 886.23 g/mol, XLogP of 11.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;7-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium is sourced from PubChem (CID 156670810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156670810 — identifiers, structure, computed properties (public domain)

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