[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine

C53H60IrN2OSi-2 — CID 166574647

About [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 166574647) has the molecular formula C53H60IrN2OSi-2 and a molecular weight of 961.38 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
• PubChem CID: 166574647
• Molecular Formula: C53H60IrN2OSi-2
• Molecular Weight: 961.38 g/mol
• Exact Mass: 961.41
• IUPAC Name: [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
• SMILES: CC(C)(C)c1cc[c-]c(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)c1.CC(C)C(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir]
• InChI: InChI=1S/C28H24NO.C25H36NSi.Ir/c1-18(2)19(3)21-14-15-29-26(16-21)25-11-7-10-24-23-13-12-22(17-27(23)30-28(24)25)20-8-5-4-6-9-20;1-25(2,3)22-14-10-13-20(16-22)23-17-21(15-19-11-8-7-9-12-19)24(18-26-23)27(4,5)6;/h4-10,12-19H,1-3H3;10,14,16-19H,7-9,11-12,15H2,1-6H3;/q2*-1
• InChIKey: RQCBBWMRDJIUQY-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.38
LogP ≤ 5	14.39
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 [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine?

The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 166574647) is [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine.

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

The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)(C)c1cc[c-]c(-c2cc(CC3CCCCC3)c([Si](C)(C)C)cn2)c1.CC(C)C(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir].

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

The InChIKey is RQCBBWMRDJIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO.C25H36NSi.Ir/c1-18(2)19(3)21-14-15-29-26(16-21)25-11-7-10-24-23-13-12-22(17-27(23)30-28(24)25)20-8-5-4-6-9-20;1-25(2,3)22-14-10-13-20(16-22)23-17-21(15-19-11-8-7-9-12-19)24(18-26-23)27(4,5)6;/h4-10,12-19H,1-3H3;10,14,16-19H,7-9,11-12,15H2,1-6H3;/q2*-1;.

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

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 961.38 g/mol, XLogP of 14.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 166574647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).