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

C50H47IrN3OSi-2 — CID 166573540

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

4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 166573540) has the molecular formula C50H47IrN3OSi-2 and a molecular weight of 926.25 g/mol. Its IUPAC name is 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 166573540
• Molecular Formula: C50H47IrN3OSi-2
• Molecular Weight: 926.25 g/mol
• Exact Mass: 926.31
• IUPAC Name: 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
• SMILES: Cc1cc(-c2c[c-]c(-c3ccc([Si](C)(C)C)cn3)cc2)cc(C)n1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(C2CCCCC2)ccn1
• InChI: InChI=1S/C29H24NO.C21H23N2Si.Ir/c1-3-8-20(9-4-1)22-14-15-24-25-12-7-13-26(29(25)31-28(24)19-22)27-18-23(16-17-30-27)21-10-5-2-6-11-21;1-15-12-19(13-16(2)23-15)17-6-8-18(9-7-17)21-11-10-20(14-22-21)24(3,4)5;/h1,3-4,7-9,12,14-19,21H,2,5-6,10-11H2;6-8,10-14H,1-5H3;/q2*-1
• InChIKey: ACGDDHGAOZVGOV-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.25
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium (CID 166573540) is 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium.

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

The canonical SMILES for 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is Cc1cc(-c2c[c-]c(-c3ccc([Si](C)(C)C)cn3)cc2)cc(C)n1.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc(C2CCCCC2)ccn1.

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

The InChIKey is ACGDDHGAOZVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO.C21H23N2Si.Ir/c1-3-8-20(9-4-1)22-14-15-24-25-12-7-13-26(29(25)31-28(24)19-22)27-18-23(16-17-30-27)21-10-5-2-6-11-21;1-15-12-19(13-16(2)23-15)17-6-8-18(9-7-17)21-11-10-20(14-22-21)24(3,4)5;/h1,3-4,7-9,12,14-19,21H,2,5-6,10-11H2;6-8,10-14H,1-5H3;/q2*-1;.

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

4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 926.25 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 166573540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).