4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine

C126H108Ir4N8-8 — CID 157351088

About 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine

4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine (PubChem CID 157351088) has the molecular formula C126H108Ir4N8-8 and a molecular weight of 2503.17 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine.

Molecular Properties

• Compound Name: 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine
• PubChem CID: 157351088
• Molecular Formula: C126H108Ir4N8-8
• Molecular Weight: 2503.17 g/mol
• Exact Mass: 2504.73
• IUPAC Name: 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine
• SMILES: CC(C)Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.CCc1cc(-c2ccnc(-c3[c-]cccc3)c2)ccc1C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H20N.C20H18N.C19H16N.C18H14N.4C12H10N.4Ir/c1-16(2)13-17-7-6-10-19(14-17)20-11-12-22-21(15-20)18-8-4-3-5-9-18;1-3-16-13-18(10-9-15(16)2)19-11-12-21-20(14-19)17-7-5-4-6-8-17;1-14-8-9-17(12-15(14)2)18-10-11-20-19(13-18)16-6-4-3-5-7-16;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-8,10-12,14-16H,13H2,1-2H3;4-7,9-14H,3H2,1-2H3;3-6,8-13H,1-2H3;2-5,7-13H,1H3;4*2-5,7-9H,1H3;;;;/q8*-1
• InChIKey: YRGJZUYMWDVTDZ-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2503.17
LogP ≤ 5	31.28
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 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine?

The IUPAC name of 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine (CID 157351088) is 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine.

What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine?

The canonical SMILES for 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine is CC(C)Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)c1.CCc1cc(-c2ccnc(-c3[c-]cccc3)c2)ccc1C.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine?

The InChIKey is YRGJZUYMWDVTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C20H18N.C19H16N.C18H14N.4C12H10N.4Ir/c1-16(2)13-17-7-6-10-19(14-17)20-11-12-22-21(15-20)18-8-4-3-5-9-18;1-3-16-13-18(10-9-15(16)2)19-11-12-21-20(14-19)17-7-5-4-6-8-17;1-14-8-9-17(12-15(14)2)18-10-11-20-19(13-18)16-6-4-3-5-7-16;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-8,10-12,14-16H,13H2,1-2H3;4-7,9-14H,3H2,1-2H3;3-6,8-13H,1-2H3;2-5,7-13H,1H3;4*2-5,7-9H,1H3;;;;/q8*-1;;;;.

What are the key properties of 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine?

4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine has a molecular weight of 2503.17 g/mol, XLogP of 31.28, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 157351088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).