[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine

C58H54IrN2OSi-2 — CID 166575144

About [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine

[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 166575144) has the molecular formula C58H54IrN2OSi-2 and a molecular weight of 1015.39 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
• PubChem CID: 166575144
• Molecular Formula: C58H54IrN2OSi-2
• Molecular Weight: 1015.39 g/mol
• Exact Mass: 1015.36
• IUPAC Name: [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
• SMILES: Cc1cc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)ncc1-c1ccccc1.Cc1cc(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)[c-]cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C30H20NO.C28H34NSi.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)26-14-8-13-25-24-16-15-23(18-29(24)32-30(25)26)21-9-4-2-5-10-21;1-21-17-24(15-16-26(21)23-13-9-6-10-14-23)27-19-25(18-22-11-7-5-8-12-22)28(20-29-27)30(2,3)4;/h2-13,15-19H,1H3;6,9-10,13-14,16-17,19-20,22H,5,7-8,11-12,18H2,1-4H3;/q2*-1
• InChIKey: WHFYURIYECRERK-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.39
LogP ≤ 5	15.28
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-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?

The IUPAC name of [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 166575144) is [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.

What is the SMILES notation for [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?

The canonical SMILES for [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is Cc1cc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)ncc1-c1ccccc1.Cc1cc(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)[c-]cc1-c1ccccc1.[Ir].

What is the InChIKey of [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?

The InChIKey is WHFYURIYECRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20NO.C28H34NSi.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)26-14-8-13-25-24-16-15-23(18-29(24)32-30(25)26)21-9-4-2-5-10-21;1-21-17-24(15-16-26(21)23-13-9-6-10-14-23)27-19-25(18-22-11-7-5-8-12-22)28(20-29-27)30(2,3)4;/h2-13,15-19H,1H3;6,9-10,13-14,16-17,19-20,22H,5,7-8,11-12,18H2,1-4H3;/q2*-1;.

What are the key properties of [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?

[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 1015.39 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 166575144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).