2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)

C132H112Ir4N8-8 — CID 160708455

About 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)

2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine) (PubChem CID 160708455) has the molecular formula C132H112Ir4N8-8 and a molecular weight of 2579.27 g/mol. Its IUPAC name is 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
• PubChem CID: 160708455
• Molecular Formula: C132H112Ir4N8-8
• Molecular Weight: 2579.27 g/mol
• Exact Mass: 2580.76
• IUPAC Name: 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
• SMILES: CC(C)(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CC(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CC(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C22H22N.2C21H20N.C18H14N.C17H12N.3C11H8N.4Ir/c1-22(2,3)16-17-10-12-18(13-11-17)19-7-6-8-20(15-19)21-9-4-5-14-23-21;2*1-16(2)14-17-9-11-18(12-10-17)19-6-5-7-20(15-19)21-8-3-4-13-22-21;1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4-7,9-15H,16H2,1-3H3;2*3-6,8-13,15-16H,14H2,1-2H3;2-5,7-13H,1H3;1-9,11-13H;3*1-6,8-9H;;;;/q8*-1
• InChIKey: LYXUPMUBLHPSSE-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2579.27
LogP ≤ 5	33.01
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 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)?

The IUPAC name of 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine) (CID 160708455) is 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine).

What is the SMILES notation for 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)?

The canonical SMILES for 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine) is CC(C)(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CC(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.CC(C)Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)?

The InChIKey is LYXUPMUBLHPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N.2C21H20N.C18H14N.C17H12N.3C11H8N.4Ir/c1-22(2,3)16-17-10-12-18(13-11-17)19-7-6-8-20(15-19)21-9-4-5-14-23-21;2*1-16(2)14-17-9-11-18(12-10-17)19-6-5-7-20(15-19)21-8-3-4-13-22-21;1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4-7,9-15H,16H2,1-3H3;2*3-6,8-13,15-16H,14H2,1-2H3;2-5,7-13H,1H3;1-9,11-13H;3*1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)?

2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine) has a molecular weight of 2579.27 g/mol, XLogP of 33.01, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine) is sourced from PubChem (CID 160708455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).