[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium

C45H45FIrN2OSi-2 — CID 169038585

About [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium (PubChem CID 169038585) has the molecular formula C45H45FIrN2OSi-2 and a molecular weight of 869.17 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium.

Molecular Properties

• Compound Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium
• PubChem CID: 169038585
• Molecular Formula: C45H45FIrN2OSi-2
• Molecular Weight: 869.17 g/mol
• Exact Mass: 869.29
• IUPAC Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4F)ccc23)c1.[Ir]
• InChI: InChI=1S/C26H19FNO.C19H26NSi.Ir/c1-16(2)17-12-13-28-24(14-17)22-8-5-7-21-20-11-10-18(15-25(20)29-26(21)22)19-6-3-4-9-23(19)27;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h3-7,9-16H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: PGXYHWBMXKRBAX-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.17
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium?

The IUPAC name of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium (CID 169038585) is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium.

What is the SMILES notation for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium?

The canonical SMILES for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4F)ccc23)c1.[Ir].

What is the InChIKey of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium?

The InChIKey is PGXYHWBMXKRBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FNO.C19H26NSi.Ir/c1-16(2)17-12-13-28-24(14-17)22-8-5-7-21-20-11-10-18(15-25(20)29-26(21)22)19-6-3-4-9-23(19)27;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h3-7,9-16H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

What are the key properties of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium?

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium has a molecular weight of 869.17 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium is sourced from PubChem (CID 169038585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).