tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

C138H96F12Ir4N8-8 — CID 158500217

About tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 158500217) has the molecular formula C138H96F12Ir4N8-8 and a molecular weight of 2863.19 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 158500217
• Molecular Formula: C138H96F12Ir4N8-8
• Molecular Weight: 2863.19 g/mol
• Exact Mass: 2864.61
• IUPAC Name: tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
• SMILES: Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)ccc1-c1ccccc1.FC(F)(F)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.FC(F)(F)c1cccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C24H15F3N.C18H11F3N.4C12H10N.4Ir/c25-24(26,27)22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)23-12-1-2-13-28-23;25-24(26,27)22-12-10-17(11-13-22)18-5-3-6-19(15-18)20-7-4-8-21(16-20)23-9-1-2-14-28-23;25-24(26,27)22-16-19(12-13-21(22)17-7-2-1-3-8-17)18-9-6-10-20(15-18)23-11-4-5-14-28-23;19-18(20,21)16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-22-17;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-9,11-16H;1-7,9-16H;1-9,11-16H;1-4,6-12H;4*2-7,9H,1H3;;;;/q8*-1
• InChIKey: BCUCEYVXKVTQNH-UHFFFAOYSA-N
• XLogP: 37.36
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2863.19
LogP ≤ 5	37.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (CID 158500217) is tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1cc(-c2cc[c-]c(-c3ccccn3)c2)ccc1-c1ccccc1.FC(F)(F)c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.FC(F)(F)c1ccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.FC(F)(F)c1cccc(-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is BCUCEYVXKVTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H15F3N.C18H11F3N.4C12H10N.4Ir/c25-24(26,27)22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)23-12-1-2-13-28-23;25-24(26,27)22-12-10-17(11-13-22)18-5-3-6-19(15-18)20-7-4-8-21(16-20)23-9-1-2-14-28-23;25-24(26,27)22-16-19(12-13-21(22)17-7-2-1-3-8-17)18-9-6-10-20(15-18)23-11-4-5-14-28-23;19-18(20,21)16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-22-17;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-9,11-16H;1-7,9-16H;1-9,11-16H;1-4,6-12H;4*2-7,9H,1H3;;;;/q8*-1;;;;.

What are the key properties of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 2863.19 g/mol, XLogP of 37.36, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[4-phenyl-3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158500217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).