[4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium

C54H56IrN2OSi-2 — CID 166576408

About [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium (PubChem CID 166576408) has the molecular formula C54H56IrN2OSi-2 and a molecular weight of 976.40 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium
• PubChem CID: 166576408
• Molecular Formula: C54H56IrN2OSi-2
• Molecular Weight: 976.40 g/mol
• Exact Mass: 976.42
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium
• SMILES: [2H]C(C)(C)c1cc[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)c3ccccc3)cn2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)cc1C([2H])([2H])C(C)(C)C.[Ir]
• InChI: InChI=1S/C29H26NO.C25H30NSi.Ir/c1-19-18-30-25(16-21(19)17-29(2,3)4)23-15-14-22(20-10-6-5-7-11-20)27-24-12-8-9-13-26(24)31-28(23)27;1-18(2)20-11-10-12-21(15-20)24-16-23(19(3)4)25(17-26-24)27(5,6)22-13-8-7-9-14-22;/h5-14,16,18H,17H2,1-4H3;7-11,13-19H,1-6H3;/q2*-1;/i1D3,17D2;18D,19D
• InChIKey: LMFFWCXFDXFLHH-GEAVLTKRSA-N
• XLogP: 13.63
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.40
LogP ≤ 5	13.63
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-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium (CID 166576408) is [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium is [2H]C(C)(C)c1cc[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)c3ccccc3)cn2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)cc1C([2H])([2H])C(C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium?

The InChIKey is LMFFWCXFDXFLHH-GEAVLTKRSA-N. The full InChI is InChI=1S/C29H26NO.C25H30NSi.Ir/c1-19-18-30-25(16-21(19)17-29(2,3)4)23-15-14-22(20-10-6-5-7-11-20)27-24-12-8-9-13-26(24)31-28(23)27;1-18(2)20-11-10-12-21(15-20)24-16-23(19(3)4)25(17-26-24)27(5,6)22-13-8-7-9-14-22;/h5-14,16,18H,17H2,1-4H3;7-11,13-19H,1-6H3;/q2*-1;/i1D3,17D2;18D,19D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium has a molecular weight of 976.40 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-[3-(2-deuteriopropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-dimethyl-phenylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 166576408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).