2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane

C47H42IrN2OSi-2 — CID 162707338

About 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 162707338) has the molecular formula C47H42IrN2OSi-2 and a molecular weight of 871.17 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 162707338
• Molecular Formula: C47H42IrN2OSi-2
• Molecular Weight: 871.17 g/mol
• Exact Mass: 871.27
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)(c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1)c1ccccc1.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C24H16NO.C23H26NSi.Ir/c1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-23(2,19-9-7-6-8-10-19)20-13-11-18(12-14-20)22-16-15-21(17-24-22)25(3,4)5;/h2-11,13-15H,1H3;6-11,13-17H,1-5H3;/q2*-1
• InChIKey: LPUVIKPXNMYFQO-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.17
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 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 162707338) is 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)(c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1)c1ccccc1.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1ccccc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The InChIKey is LPUVIKPXNMYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C23H26NSi.Ir/c1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-23(2,19-9-7-6-8-10-19)20-13-11-18(12-14-20)22-16-15-21(17-24-22)25(3,4)5;/h2-11,13-15H,1H3;6-11,13-17H,1-5H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 871.17 g/mol, XLogP of 11.84, 6 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-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 162707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).