4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C56H66IrN2OSi-2 — CID 166573947

About 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166573947) has the molecular formula C56H66IrN2OSi-2 and a molecular weight of 1003.46 g/mol. Its IUPAC name is 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166573947
• Molecular Formula: C56H66IrN2OSi-2
• Molecular Weight: 1003.46 g/mol
• Exact Mass: 1003.46
• IUPAC Name: 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)c1cc(-c2ccc3c(c2)oc2c(-c4cc(C5CCCCC5)ccn4)[c-]ccc23)cc(C(C)(C)C)c1.[Ir]
• InChI: InChI=1S/C37H40NO.C19H26NSi.Ir/c1-36(2,3)28-19-27(20-29(23-28)37(4,5)6)25-15-16-30-31-13-10-14-32(35(31)39-34(30)22-25)33-21-26(17-18-38-33)24-11-8-7-9-12-24;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h10,13,15-24H,7-9,11-12H2,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: OWAIQGGVASXEBX-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.46
LogP ≤ 5	15.44
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 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 166573947) is 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)c1cc(-c2ccc3c(c2)oc2c(-c4cc(C5CCCCC5)ccn4)[c-]ccc23)cc(C(C)(C)C)c1.[Ir].

What is the InChIKey of 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is OWAIQGGVASXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40NO.C19H26NSi.Ir/c1-36(2,3)28-19-27(20-29(23-28)37(4,5)6)25-15-16-30-31-13-10-14-32(35(31)39-34(30)22-25)33-21-26(17-18-38-33)24-11-8-7-9-12-24;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h10,13,15-24H,7-9,11-12H2,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

What are the key properties of 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1003.46 g/mol, XLogP of 15.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166573947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).