iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C55H50IrN2OSi-2 — CID 166575688

About iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 166575688) has the molecular formula C55H50IrN2OSi-2 and a molecular weight of 975.32 g/mol. Its IUPAC name is iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 166575688
• Molecular Formula: C55H50IrN2OSi-2
• Molecular Weight: 975.32 g/mol
• Exact Mass: 975.33
• IUPAC Name: iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1.[Ir]
• InChI: InChI=1S/C37H26NO.C18H24NSi.Ir/c1-25(26-9-4-2-5-10-26)30-21-22-38-35(24-30)33-14-8-13-32-34-23-31(19-20-36(34)39-37(32)33)29-17-15-28(16-18-29)27-11-6-3-7-12-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h2-13,15-25H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: YTEORNWXFKXDPY-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.32
LogP ≤ 5	14.22
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;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 166575688) is iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1.[Ir].

What is the InChIKey of iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is YTEORNWXFKXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26NO.C18H24NSi.Ir/c1-25(26-9-4-2-5-10-26)30-21-22-38-35(24-30)33-14-8-13-32-34-23-31(19-20-36(34)39-37(32)33)29-17-15-28(16-18-29)27-11-6-3-7-12-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h2-13,15-25H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 975.32 g/mol, XLogP of 14.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 166575688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).