4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)

C96H79Ir4N8-7 — CID 159379834

About 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)

4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine) (PubChem CID 159379834) has the molecular formula C96H79Ir4N8-7 and a molecular weight of 2113.61 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine).

Molecular Properties

• Compound Name: 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)
• PubChem CID: 159379834
• Molecular Formula: C96H79Ir4N8-7
• Molecular Weight: 2113.61 g/mol
• Exact Mass: 2115.50
• IUPAC Name: 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)
• SMILES: CC(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1cc[c-]c(-c2cc(C)c(C)cn2)c1.Cc1nc(-c2[c-]cccc2)ccc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cnc(-c2ccccc2)cn1
• InChI: InChI=1S/C18H14N.C16H11N2.C15H16N.C14H14N.3C11H8N.4Ir/c1-14-17(15-8-4-2-5-9-15)12-13-18(19-14)16-10-6-3-7-11-16;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-15-14;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-10,12-13H,1H3;1-9,11-12H;3-6,8-9,11-12H,10H2,1-2H3;4-5,7-9H,1-3H3;3*1-6,8-9H;;;;/q7*-1
• InChIKey: ODONYJXAWIIVDJ-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2113.61
LogP ≤ 5	22.99
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 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)?

The IUPAC name of 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine) (CID 159379834) is 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine).

What is the SMILES notation for 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)?

The canonical SMILES for 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine) is CC(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1cc[c-]c(-c2cc(C)c(C)cn2)c1.Cc1nc(-c2[c-]cccc2)ccc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1cnc(-c2ccccc2)cn1.

What is the InChIKey of 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)?

The InChIKey is ODONYJXAWIIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.C16H11N2.C15H16N.C14H14N.3C11H8N.4Ir/c1-14-17(15-8-4-2-5-9-15)12-13-18(19-14)16-10-6-3-7-11-16;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14;1-12(2)10-13-8-9-15(16-11-13)14-6-4-3-5-7-14;1-10-5-4-6-13(7-10)14-8-11(2)12(3)9-15-14;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-10,12-13H,1H3;1-9,11-12H;3-6,8-9,11-12H,10H2,1-2H3;4-5,7-9H,1-3H3;3*1-6,8-9H;;;;/q7*-1;;;;.

What are the key properties of 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)?

4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine) has a molecular weight of 2113.61 g/mol, XLogP of 22.99, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine) is sourced from PubChem (CID 159379834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).