5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium

C43H39F3IrN2-2 — CID 155602184

About 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium

5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium (PubChem CID 155602184) has the molecular formula C43H39F3IrN2-2 and a molecular weight of 833.01 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium.

Molecular Properties

• Compound Name: 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium
• PubChem CID: 155602184
• Molecular Formula: C43H39F3IrN2-2
• Molecular Weight: 833.01 g/mol
• Exact Mass: 833.27
• IUPAC Name: 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium
• SMILES: CCCCCCc1cccc(-c2cc[c-]c(-c3ccc(C(F)(F)F)cn3)c2)c1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C24H23F3N.C19H16N.Ir/c1-2-3-4-5-8-18-9-6-10-19(15-18)20-11-7-12-21(16-20)23-14-13-22(17-28-23)24(25,26)27;1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;/h6-7,9-11,13-17H,2-5,8H2,1H3;3-9,11-13H,1-2H3;/q2*-1
• InChIKey: URKBUDANZVTJAT-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.01
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium?

The IUPAC name of 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium (CID 155602184) is 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium.

What is the SMILES notation for 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium?

The canonical SMILES for 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium is CCCCCCc1cccc(-c2cc[c-]c(-c3ccc(C(F)(F)F)cn3)c2)c1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium?

The InChIKey is URKBUDANZVTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N.C19H16N.Ir/c1-2-3-4-5-8-18-9-6-10-19(15-18)20-11-7-12-21(16-20)23-14-13-22(17-28-23)24(25,26)27;1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;/h6-7,9-11,13-17H,2-5,8H2,1H3;3-9,11-13H,1-2H3;/q2*-1;.

What are the key properties of 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium?

5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium has a molecular weight of 833.01 g/mol, XLogP of 12.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethylphenyl)-2-phenylpyridine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium is sourced from PubChem (CID 155602184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).