iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

C45H46IrN2OSi-2 — CID 166576697

About iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 166576697) has the molecular formula C45H46IrN2OSi-2 and a molecular weight of 854.20 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 166576697
• Molecular Formula: C45H46IrN2OSi-2
• Molecular Weight: 854.20 g/mol
• Exact Mass: 854.32
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)c1ccnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C26H20NO.C19H26NSi.Ir/c1-17(2)19-12-13-27-24(15-19)21-9-11-25-23(14-21)22-10-8-20(16-26(22)28-25)18-6-4-3-5-7-18;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h3-8,10-17H,1-2H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3
• InChIKey: HZFLPVNENSEQOH-UMJUAPLUSA-N
• XLogP: 11.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.20
LogP ≤ 5	11.84
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 iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 166576697) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)c1ccnc(-c2[c-]cc3oc4cc(-c5ccccc5)ccc4c3c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is HZFLPVNENSEQOH-UMJUAPLUSA-N. The full InChI is InChI=1S/C26H20NO.C19H26NSi.Ir/c1-17(2)19-12-13-27-24(15-19)21-9-11-25-23(14-21)22-10-8-20(16-26(22)28-25)18-6-4-3-5-7-18;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h3-8,10-17H,1-2H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3;.

What are the key properties of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 854.20 g/mol, XLogP of 11.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[4-(2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 166576697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).