5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)

C78H68Ir4N4-4 — CID 160525107

About 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium) (PubChem CID 160525107) has the molecular formula C78H68Ir4N4-4 and a molecular weight of 1830.30 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium).

Molecular Properties

• Compound Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)
• PubChem CID: 160525107
• Molecular Formula: C78H68Ir4N4-4
• Molecular Weight: 1830.30 g/mol
• Exact Mass: 1832.40
• IUPAC Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)
• SMILES: CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1cc(C)cc(-c2c[c-]c(-c3ccccn3)cc2)c1.Cc1cc(C)nc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H20N.3C19H16N.4Ir/c1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-11-15(2)13-18(12-14)16-6-8-17(9-7-16)19-5-3-4-10-20-19;1-14-11-19(20-13-15(14)2)18-10-6-9-17(12-18)16-7-4-3-5-8-16;1-14-11-15(2)20-19(12-14)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;;;/h4-10,12-15H,1-3H3;3-8,10-13H,1-2H3;2*3-9,11-13H,1-2H3;;;;/q4*-1
• InChIKey: BECRMYYVYFHUAH-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.30
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)?

The IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium) (CID 160525107) is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium).

What is the SMILES notation for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)?

The canonical SMILES for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium) is CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1cc(C)cc(-c2c[c-]c(-c3ccccn3)cc2)c1.Cc1cc(C)nc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)?

The InChIKey is BECRMYYVYFHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.3C19H16N.4Ir/c1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-11-15(2)13-18(12-14)16-6-8-17(9-7-16)19-5-3-4-10-20-19;1-14-11-19(20-13-15(14)2)18-10-6-9-17(12-18)16-7-4-3-5-8-16;1-14-11-15(2)20-19(12-14)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;;;/h4-10,12-15H,1-3H3;3-8,10-13H,1-2H3;2*3-9,11-13H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium)?

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium) has a molecular weight of 1830.30 g/mol, XLogP of 20.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[4-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium) is sourced from PubChem (CID 160525107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).