[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine

C41H44IrN4OSi-2 — CID 156659970

About [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine

[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine (PubChem CID 156659970) has the molecular formula C41H44IrN4OSi-2 and a molecular weight of 834.16 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine
• PubChem CID: 156659970
• Molecular Formula: C41H44IrN4OSi-2
• Molecular Weight: 834.16 g/mol
• Exact Mass: 834.32
• IUPAC Name: [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine
• SMILES: Cc1ccc2c(c1)oc1c(-c3nc4c(C)nc(C)cc4n3C)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C22H18N3O.C19H26NSi.Ir/c1-12-8-9-15-16-6-5-7-17(21(16)26-19(15)10-12)22-24-20-14(3)23-13(2)11-18(20)25(22)4;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h5-6,8-11H,1-4H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,11D2
• InChIKey: LNKSGKCCUJZQKH-ULMMDMJCSA-N
• XLogP: 9.86
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.16
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine?

The IUPAC name of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine (CID 156659970) is [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine.

What is the SMILES notation for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine?

The canonical SMILES for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine is Cc1ccc2c(c1)oc1c(-c3nc4c(C)nc(C)cc4n3C)[c-]ccc12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine?

The InChIKey is LNKSGKCCUJZQKH-ULMMDMJCSA-N. The full InChI is InChI=1S/C22H18N3O.C19H26NSi.Ir/c1-12-8-9-15-16-6-5-7-17(21(16)26-19(15)10-12)22-24-20-14(3)23-13(2)11-18(20)25(22)4;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;/h5-6,8-11H,1-4H3;7-9,12-14H,11H2,1-6H3;/q2*-1;/i;3D3,11D2;.

What are the key properties of [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine?

[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 834.16 g/mol, XLogP of 9.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;1,4,6-trimethyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 156659970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).