N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)

C124H107F3Ir3N8S-6 — CID 159121559

About N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)

N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine) (PubChem CID 159121559) has the molecular formula C124H107F3Ir3N8S-6 and a molecular weight of 2374.99 g/mol. Its IUPAC name is N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine).

Molecular Properties

• Compound Name: N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)
• PubChem CID: 159121559
• Molecular Formula: C124H107F3Ir3N8S-6
• Molecular Weight: 2374.99 g/mol
• Exact Mass: 2375.72
• IUPAC Name: N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)
• SMILES: CCCCCSc1cccc(-c2cc(C)[c-]c(-c3ccccn3)c2)n1.Cc1cc(-c2cc[c-]c(-c3ccccn3)c2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.[Ir].[Ir].[Ir].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccn1
• InChI: InChI=1S/C23H17N2.C22H23N2S.3C20H18N.C19H13F3N.3Ir/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)22-15-9-10-19(18-22)23-16-7-8-17-24-23;1-3-4-7-13-25-22-11-8-10-21(24-22)19-15-17(2)14-18(16-19)20-9-5-6-12-23-20;3*1-14-11-15(2)20(16(3)12-14)18-9-10-19(21-13-18)17-7-5-4-6-8-17;1-13-9-16(12-17(10-13)19(20,21)22)14-5-4-6-15(11-14)18-7-2-3-8-23-18;;;/h1-9,11-18H;5-6,8-12,15-16H,3-4,7,13H2,1-2H3;3*4-7,9-13H,1-3H3;2-5,7-12H,1H3;;;/q6*-1
• InChIKey: KOICKOYIMVSHAK-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 93.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2374.99
LogP ≤ 5	33.18
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 N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)?

The IUPAC name of N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine) (CID 159121559) is N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine).

What is the SMILES notation for N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)?

The canonical SMILES for N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine) is CCCCCSc1cccc(-c2cc(C)[c-]c(-c3ccccn3)c2)n1.Cc1cc(-c2cc[c-]c(-c3ccccn3)c2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.Cc1cc(C)c(-c2ccc(-c3[c-]cccc3)nc2)c(C)c1.[Ir].[Ir].[Ir].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccccn1.

What is the InChIKey of N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)?

The InChIKey is KOICKOYIMVSHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2.C22H23N2S.3C20H18N.C19H13F3N.3Ir/c1-3-11-20(12-4-1)25(21-13-5-2-6-14-21)22-15-9-10-19(18-22)23-16-7-8-17-24-23;1-3-4-7-13-25-22-11-8-10-21(24-22)19-15-17(2)14-18(16-19)20-9-5-6-12-23-20;3*1-14-11-15(2)20(16(3)12-14)18-9-10-19(21-13-18)17-7-5-4-6-8-17;1-13-9-16(12-17(10-13)19(20,21)22)14-5-4-6-15(11-14)18-7-2-3-8-23-18;;;/h1-9,11-18H;5-6,8-12,15-16H,3-4,7,13H2,1-2H3;3*4-7,9-13H,1-3H3;2-5,7-12H,1H3;;;/q6*-1;;;.

What are the key properties of N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)?

N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine) has a molecular weight of 2374.99 g/mol, XLogP of 33.18, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine) is sourced from PubChem (CID 159121559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).