2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C33H24IrN3O2- — CID 171438753

About 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 171438753) has the molecular formula C33H24IrN3O2- and a molecular weight of 686.79 g/mol. Its IUPAC name is 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
• PubChem CID: 171438753
• Molecular Formula: C33H24IrN3O2-
• Molecular Weight: 686.79 g/mol
• Exact Mass: 687.15
• IUPAC Name: 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
• SMILES: Oc1ccccc1-c1cccc(-c2ccccc2O)n1.[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1
• InChI: InChI=1S/C17H13NO2.C16H11N2.Ir/c19-16-10-3-1-6-12(16)14-8-5-9-15(18-14)13-7-2-4-11-17(13)20;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;/h1-11,19-20H;1-11H;/q;-1
• InChIKey: HTAJGOBJUSUWHM-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 79.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.79
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	2
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 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?

The IUPAC name of 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 171438753) is 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

What is the SMILES notation for 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?

The canonical SMILES for 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is Oc1ccccc1-c1cccc(-c2ccccc2O)n1.[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.

What is the InChIKey of 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?

The InChIKey is HTAJGOBJUSUWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.C16H11N2.Ir/c19-16-10-3-1-6-12(16)14-8-5-9-15(18-14)13-7-2-4-11-17(13)20;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;/h1-11,19-20H;1-11H;/q;-1;.

What are the key properties of 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?

2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 686.79 g/mol, XLogP of 7.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-hydroxyphenyl)-2-pyridinyl]phenol;iridium;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 171438753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).