iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine

C30H24IrN2-2 — CID 164791666

About iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine

iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 164791666) has the molecular formula C30H24IrN2-2 and a molecular weight of 610.79 g/mol. Its IUPAC name is iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 164791666
• Molecular Formula: C30H24IrN2-2
• Molecular Weight: 610.79 g/mol
• Exact Mass: 611.20
• IUPAC Name: iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir]
• InChI: InChI=1S/C18H14N.C12H10N.Ir/c1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h2-5,7-13H,1H3;2-7,9H,1H3;/q2*-1;/i2*1D3
• InChIKey: UNEUTMWQVVKKEQ-CKFJQVKPSA-N
• XLogP: 7.38
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.79
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 164791666) is iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine is [2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].

What is the InChIKey of iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is UNEUTMWQVVKKEQ-CKFJQVKPSA-N. The full InChI is InChI=1S/C18H14N.C12H10N.Ir/c1-14-8-10-15(11-9-14)16-5-4-6-17(13-16)18-7-2-3-12-19-18;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h2-5,7-13H,1H3;2-7,9H,1H3;/q2*-1;/i2*1D3;.

What are the key properties of iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 610.79 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 164791666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).