tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine

C72H72Ir4N4-4 — CID 159542369

About tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine

tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine (PubChem CID 159542369) has the molecular formula C72H72Ir4N4-4 and a molecular weight of 1762.26 g/mol. Its IUPAC name is tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
• PubChem CID: 159542369
• Molecular Formula: C72H72Ir4N4-4
• Molecular Weight: 1762.26 g/mol
• Exact Mass: 1764.43
• IUPAC Name: tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
• SMILES: CC(C)Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C21H20N.2C15H16N.4Ir/c1-16(2)13-17-11-12-21(22-15-17)20-10-6-9-19(14-20)18-7-4-3-5-8-18;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;;;;/h2*3-9,11-12,14-16H,13H2,1-2H3;2*3-6,8-9,11-12H,10H2,1-2H3;;;;/q4*-1
• InChIKey: WDTBAYNKVMYYCI-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1762.26
LogP ≤ 5	18.31
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 tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?

The IUPAC name of tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine (CID 159542369) is tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine.

What is the SMILES notation for tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?

The canonical SMILES for tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine is CC(C)Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)Cc1ccc(-c2[c-]cccc2)nc1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?

The InChIKey is WDTBAYNKVMYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N.2C15H16N.4Ir/c1-16(2)13-17-11-12-21(22-15-17)20-10-6-9-19(14-20)18-7-4-3-5-8-18;1-16(2)13-17-11-12-22-21(14-17)20-10-6-9-19(15-20)18-7-4-3-5-8-18;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;;;;/h2*3-9,11-12,14-16H,13H2,1-2H3;2*3-6,8-9,11-12H,10H2,1-2H3;;;;/q4*-1;;;;.

What are the key properties of tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine?

tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine has a molecular weight of 1762.26 g/mol, XLogP of 18.31, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 159542369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).