2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)

C78H75Ir2N5O2- — CID 160553096

About 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)

2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine) (PubChem CID 160553096) has the molecular formula C78H75Ir2N5O2- and a molecular weight of 1498.92 g/mol. Its IUPAC name is 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine).

Molecular Properties

• Compound Name: 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
• PubChem CID: 160553096
• Molecular Formula: C78H75Ir2N5O2-
• Molecular Weight: 1498.92 g/mol
• Exact Mass: 1499.52
• IUPAC Name: 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
• SMILES: CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CO.CO.[Ir+3].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C17H13N.C17H12N.3C14H14N.2CH4O.2Ir/c2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;3*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;2*1-2;;/h1-13H;1-9,11-13H;3*3-6,8-11H,1-2H3;2*2H,1H3;;/q;4*-1;;;;+3
• InChIKey: GYDBOSWDGWOFRD-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 104.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1498.92
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)?

The IUPAC name of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine) (CID 160553096) is 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine).

What is the SMILES notation for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)?

The canonical SMILES for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine) is CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CO.CO.[Ir+3].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.

What is the InChIKey of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)?

The InChIKey is GYDBOSWDGWOFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N.C17H12N.3C14H14N.2CH4O.2Ir/c2*1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;3*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;2*1-2;;/h1-13H;1-9,11-13H;3*3-6,8-11H,1-2H3;2*2H,1H3;;/q;4*-1;;;;+3.

What are the key properties of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)?

2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine) has a molecular weight of 1498.92 g/mol, XLogP of 18.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine) is sourced from PubChem (CID 160553096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).