5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)

C162H136F3Ir3N9-6 — CID 157396470

About 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)

5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium) (PubChem CID 157396470) has the molecular formula C162H136F3Ir3N9-6 and a molecular weight of 2842.58 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium).

Molecular Properties

• Compound Name: 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)
• PubChem CID: 157396470
• Molecular Formula: C162H136F3Ir3N9-6
• Molecular Weight: 2842.58 g/mol
• Exact Mass: 2842.98
• IUPAC Name: 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)
• SMILES: CCCCCCc1cccc(-c2cc[c-]c(-c3ccc(C(F)(F)F)cn3)c2)c1.Cc1cccc(C)c1-c1ccc(-c2[c-]ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1
• InChI: InChI=1S/C44H37N4.C37H28N.C24H23F3N.3C19H16N.3Ir/c1(6-16-33-17-8-3-9-18-33)2-7-19-34-20-14-25-37(30-34)38-26-15-27-39(31-38)41-29-28-40(32-45-41)44-47-42(35-21-10-4-11-22-35)46-43(48-44)36-23-12-5-13-24-36;1-26-10-6-11-27(2)37(26)35-20-21-36(38-25-35)34-19-9-18-33(24-34)32-17-8-16-31(23-32)30-15-7-14-29(22-30)28-12-4-3-5-13-28;1-2-3-4-5-8-18-9-6-10-19(15-18)20-11-7-12-21(16-20)23-14-13-22(17-28-23)24(25,26)27;3*1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;;;/h3-5,8-15,17-18,20-26,28-32H,1-2,6-7,16,19H2;3-18,20-25H,1-2H3;6-7,9-11,13-17H,2-5,8H2,1H3;3*3-9,11-13H,1-2H3;;;/q6*-1
• InChIKey: VGDCHZVQKLAEIT-UHFFFAOYSA-N
• XLogP: 42.43
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2842.58
LogP ≤ 5	42.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)?

The IUPAC name of 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium) (CID 157396470) is 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium).

What is the SMILES notation for 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)?

The canonical SMILES for 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium) is CCCCCCc1cccc(-c2cc[c-]c(-c3ccc(C(F)(F)F)cn3)c2)c1.Cc1cccc(C)c1-c1ccc(-c2[c-]ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(CCCCCCc3ccccc3)c2)cc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.

What is the InChIKey of 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)?

The InChIKey is VGDCHZVQKLAEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N4.C37H28N.C24H23F3N.3C19H16N.3Ir/c1(6-16-33-17-8-3-9-18-33)2-7-19-34-20-14-25-37(30-34)38-26-15-27-39(31-38)41-29-28-40(32-45-41)44-47-42(35-21-10-4-11-22-35)46-43(48-44)36-23-12-5-13-24-36;1-26-10-6-11-27(2)37(26)35-20-21-36(38-25-35)34-19-9-18-33(24-34)32-17-8-16-31(23-32)30-15-7-14-29(22-30)28-12-4-3-5-13-28;1-2-3-4-5-8-18-9-6-10-19(15-18)20-11-7-12-21(16-20)23-14-13-22(17-28-23)24(25,26)27;3*1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;;;/h3-5,8-15,17-18,20-26,28-32H,1-2,6-7,16,19H2;3-18,20-25H,1-2H3;6-7,9-11,13-17H,2-5,8H2,1H3;3*3-9,11-13H,1-2H3;;;/q6*-1;;;.

What are the key properties of 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium)?

5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium) has a molecular weight of 2842.58 g/mol, XLogP of 42.43, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethylphenyl)-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(5-(2,6-dimethylphenyl)-2-phenylpyridine);2,4-diphenyl-6-[6-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;tris(iridium) is sourced from PubChem (CID 157396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).