[6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium

C43H42IrN2OSi-2 — CID 162707405

About [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium

[6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium (PubChem CID 162707405) has the molecular formula C43H42IrN2OSi-2 and a molecular weight of 823.12 g/mol. Its IUPAC name is [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium.

Molecular Properties

• Compound Name: [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium
• PubChem CID: 162707405
• Molecular Formula: C43H42IrN2OSi-2
• Molecular Weight: 823.12 g/mol
• Exact Mass: 823.27
• IUPAC Name: [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium
• SMILES: CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(Cc3ccccc3)cc2)nc1.[Ir]
• InChI: InChI=1S/C22H20NO.C21H22NSi.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-23(2,3)20-13-14-21(22-16-20)19-11-9-18(10-12-19)15-17-7-5-4-6-8-17;/h4-8,10-13H,14H2,1-3H3;4-11,13-14,16H,15H2,1-3H3;/q2*-1
• InChIKey: LHOIKTUWGIKHJP-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.12
LogP ≤ 5	10.72
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 [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium?

The IUPAC name of [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium (CID 162707405) is [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium.

What is the SMILES notation for [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium?

The canonical SMILES for [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(Cc3ccccc3)cc2)nc1.[Ir].

What is the InChIKey of [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium?

The InChIKey is LHOIKTUWGIKHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO.C21H22NSi.Ir/c1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-23(2,3)20-13-14-21(22-16-20)19-11-9-18(10-12-19)15-17-7-5-4-6-8-17;/h4-8,10-13H,14H2,1-3H3;4-11,13-14,16H,15H2,1-3H3;/q2*-1;.

What are the key properties of [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium?

[6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium has a molecular weight of 823.12 g/mol, XLogP of 10.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium is sourced from PubChem (CID 162707405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).