4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C50H54IrN2OSi-2 — CID 166577128

About 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166577128) has the molecular formula C50H54IrN2OSi-2 and a molecular weight of 919.30 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166577128
• Molecular Formula: C50H54IrN2OSi-2
• Molecular Weight: 919.30 g/mol
• Exact Mass: 919.36
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-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)(c1ccnc(-c2[c-]cc3oc4cccc(-c5ccccc5)c4c3c2)c1)C1CCCC1.[Ir]
• InChI: InChI=1S/C31H28NO.C19H26NSi.Ir/c1-31(2,23-11-6-7-12-23)24-17-18-32-27(20-24)22-15-16-28-26(19-22)30-25(13-8-14-29(30)33-28)21-9-4-3-5-10-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h3-5,8-10,13-14,16-20,23H,6-7,11-12H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: AECTVUVECRYQTB-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.30
LogP ≤ 5	13.26
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-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 166577128) is 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-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)(c1ccnc(-c2[c-]cc3oc4cccc(-c5ccccc5)c4c3c2)c1)C1CCCC1.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is AECTVUVECRYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NO.C19H26NSi.Ir/c1-31(2,23-11-6-7-12-23)24-17-18-32-27(20-24)22-15-16-28-26(19-22)30-25(13-8-14-29(30)33-28)21-9-4-3-5-10-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h3-5,8-10,13-14,16-20,23H,6-7,11-12H2,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?

4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 919.30 g/mol, XLogP of 13.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166577128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).