[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine

C50H48IrN2OSi-2 — CID 166576755

About [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine (PubChem CID 166576755) has the molecular formula C50H48IrN2OSi-2 and a molecular weight of 913.25 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine.

Molecular Properties

• Compound Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
• PubChem CID: 166576755
• Molecular Formula: C50H48IrN2OSi-2
• Molecular Weight: 913.25 g/mol
• Exact Mass: 913.32
• IUPAC Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir]
• InChI: InChI=1S/C31H22NO.C19H26NSi.Ir/c1-21(22-9-4-2-5-10-22)24-17-18-32-29(19-24)28-14-8-13-27-26-16-15-25(20-30(26)33-31(27)28)23-11-6-3-7-12-23;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2-13,15-21H,1H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: UIWUVJZSJYJVDZ-UHFFFAOYSA-N
• XLogP: 12.95
• 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	913.25
LogP ≤ 5	12.95
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-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine?

The IUPAC name of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine (CID 166576755) is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine.

What is the SMILES notation for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine?

The canonical SMILES for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir].

What is the InChIKey of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine?

The InChIKey is UIWUVJZSJYJVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NO.C19H26NSi.Ir/c1-21(22-9-4-2-5-10-22)24-17-18-32-29(19-24)28-14-8-13-27-26-16-15-25(20-30(26)33-31(27)28)23-11-6-3-7-12-23;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;/h2-13,15-21H,1H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

What are the key properties of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine?

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine has a molecular weight of 913.25 g/mol, XLogP of 12.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine is sourced from PubChem (CID 166576755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).