5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)

C43H34IrN4OPt-2 — CID 153276443

About 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)

5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+) (PubChem CID 153276443) has the molecular formula C43H34IrN4OPt-2 and a molecular weight of 1010.07 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
• PubChem CID: 153276443
• Molecular Formula: C43H34IrN4OPt-2
• Molecular Weight: 1010.07 g/mol
• Exact Mass: 1010.20
• IUPAC Name: 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
• SMILES: CC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Pt+2].[c-]1cc(-c2cccc(Oc3cccc(-c4[c-]cccc4)n3)n2)[c-]cc1-c1ccccn1
• InChI: InChI=1S/C27H16N3O.C16H18N.Ir.Pt/c1-2-8-20(9-3-1)24-11-6-13-26(29-24)31-27-14-7-12-25(30-27)22-17-15-21(16-18-22)23-10-4-5-19-28-23;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h1-8,10-15,18-19H;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2
• InChIKey: PHVZAIMWJCYLCZ-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 60.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.07
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)?

The IUPAC name of 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+) (CID 153276443) is 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+).

What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)?

The canonical SMILES for 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+) is CC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Pt+2].[c-]1cc(-c2cccc(Oc3cccc(-c4[c-]cccc4)n3)n2)[c-]cc1-c1ccccn1.

What is the InChIKey of 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)?

The InChIKey is PHVZAIMWJCYLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N3O.C16H18N.Ir.Pt/c1-2-8-20(9-3-1)24-11-6-13-26(29-24)31-27-14-7-12-25(30-27)22-17-15-21(16-18-22)23-10-4-5-19-28-23;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h1-8,10-15,18-19H;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2.

What are the key properties of 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)?

5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+) has a molecular weight of 1010.07 g/mol, XLogP of 10.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+) is sourced from PubChem (CID 153276443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).