4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C56H53FIrN2OSSi-2 — CID 171435830

About 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 171435830) has the molecular formula C56H53FIrN2OSSi-2 and a molecular weight of 1041.42 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 171435830
• Molecular Formula: C56H53FIrN2OSSi-2
• Molecular Weight: 1041.42 g/mol
• Exact Mass: 1041.33
• IUPAC Name: 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2cc(CC3CC4CCC3CC4)ccn2)c2sc3ccc(-c4ccccc4)cc3c12.[Ir]
• InChI: InChI=1S/C32H27FNS.C24H26NOSi.Ir/c33-28-12-11-26(29-18-21(14-15-34-29)17-25-16-20-6-8-23(25)9-7-20)32-31(28)27-19-24(10-13-30(27)35-32)22-4-2-1-3-5-22;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;/h1-5,10,12-15,18-20,23,25H,6-9,16-17H2;6-10,12,14-16H,13H2,1-5H3;/q2*-1
• InChIKey: FQKYGXAYBJGHLE-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.42
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 171435830) is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2cc(CC3CC4CCC3CC4)ccn2)c2sc3ccc(-c4ccccc4)cc3c12.[Ir].

What is the InChIKey of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is FQKYGXAYBJGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FNS.C24H26NOSi.Ir/c33-28-12-11-26(29-18-21(14-15-34-29)17-25-16-20-6-8-23(25)9-7-20)32-31(28)27-19-24(10-13-30(27)35-32)22-4-2-1-3-5-22;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;/h1-5,10,12-15,18-20,23,25H,6-9,16-17H2;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.

What are the key properties of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1041.42 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 171435830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).