2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C37H38IrN2OSi-2 — CID 156686699

About 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 156686699) has the molecular formula C37H38IrN2OSi-2 and a molecular weight of 747.03 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• PubChem CID: 156686699
• Molecular Formula: C37H38IrN2OSi-2
• Molecular Weight: 747.03 g/mol
• Exact Mass: 747.24
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• SMILES: Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Ir]
• InChI: InChI=1S/C19H26NSi.C18H12NO.Ir/c1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;/h7-9,12-14H,11H2,1-6H3;2-6,8-11H,1H3;/q2*-1
• InChIKey: XHOGHGAURVBLKH-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.03
LogP ≤ 5	9.36
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 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 156686699) is 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is Cc1c[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)cc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The InChIKey is XHOGHGAURVBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NSi.C18H12NO.Ir/c1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;/h7-9,12-14H,11H2,1-6H3;2-6,8-11H,1H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 747.03 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 156686699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).