[6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium

C39H36IrN2Si-2 — CID 162708389

About [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium

[6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium (PubChem CID 162708389) has the molecular formula C39H36IrN2Si-2 and a molecular weight of 757.06 g/mol. Its IUPAC name is [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium.

Molecular Properties

• Compound Name: [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium
• PubChem CID: 162708389
• Molecular Formula: C39H36IrN2Si-2
• Molecular Weight: 757.06 g/mol
• Exact Mass: 757.25
• IUPAC Name: [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium
• SMILES: [2H]C([2H])(c1ccccc1)c1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[Ir]
• InChI: InChI=1S/C21H22NSi.C18H14N.Ir/c1-23(2,3)19-13-14-21(22-16-19)20-12-8-7-11-18(20)15-17-9-5-4-6-10-17;1-3-7-15(8-4-1)13-16-11-12-19-18(14-16)17-9-5-2-6-10-17;/h4-11,13-14,16H,15H2,1-3H3;1-9,11-12,14H,13H2;/q2*-1;/i15D2;13D2
• InChIKey: ONIMJZSYNHCYKW-JTSJBZKXSA-N
• XLogP: 8.82
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.06
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium?

The IUPAC name of [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium (CID 162708389) is [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium.

What is the SMILES notation for [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium?

The canonical SMILES for [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium is [2H]C([2H])(c1ccccc1)c1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[Ir].

What is the InChIKey of [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium?

The InChIKey is ONIMJZSYNHCYKW-JTSJBZKXSA-N. The full InChI is InChI=1S/C21H22NSi.C18H14N.Ir/c1-23(2,3)19-13-14-21(22-16-19)20-12-8-7-11-18(20)15-17-9-5-4-6-10-17;1-3-7-15(8-4-1)13-16-11-12-19-18(14-16)17-9-5-2-6-10-17;/h4-11,13-14,16H,15H2,1-3H3;1-9,11-12,14H,13H2;/q2*-1;/i15D2;13D2;.

What are the key properties of [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium?

[6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium has a molecular weight of 757.06 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium is sourced from PubChem (CID 162708389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).