iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C48H44IrN2OSi-2 — CID 171435976

About iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 171435976) has the molecular formula C48H44IrN2OSi-2 and a molecular weight of 885.20 g/mol. Its IUPAC name is iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• PubChem CID: 171435976
• Molecular Formula: C48H44IrN2OSi-2
• Molecular Weight: 885.20 g/mol
• Exact Mass: 885.29
• IUPAC Name: iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
• SMILES: CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C31H22NO.C17H22NSi.Ir/c1-21(22-10-4-2-5-11-22)24-18-19-32-28(20-24)26-17-16-25(23-12-6-3-7-13-23)30-27-14-8-9-15-29(27)33-31(26)30;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-16,18-21H,1H3;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: WCDYOOWNBRHVPM-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.20
LogP ≤ 5	12.48
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 iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The IUPAC name of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 171435976) is iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

What is the SMILES notation for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The canonical SMILES for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]cc(-c3ccccc3)c3c2oc2ccccc23)c1.[Ir].

What is the InChIKey of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

The InChIKey is WCDYOOWNBRHVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NO.C17H22NSi.Ir/c1-21(22-10-4-2-5-11-22)24-18-19-32-28(20-24)26-17-16-25(23-12-6-3-7-13-23)30-27-14-8-9-15-29(27)33-31(26)30;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h2-16,18-21H,1H3;6-9,11-13H,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?

iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 885.20 g/mol, XLogP of 12.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 171435976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).