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

C41H40IrN2Si-2 — CID 162707675

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

iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (PubChem CID 162707675) has the molecular formula C41H40IrN2Si-2 and a molecular weight of 784.11 g/mol. Its IUPAC name is iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• PubChem CID: 162707675
• Molecular Formula: C41H40IrN2Si-2
• Molecular Weight: 784.11 g/mol
• Exact Mass: 784.28
• IUPAC Name: iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
• SMILES: CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
• InChI: InChI=1S/C21H22NSi.C20H18N.Ir/c1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;/h5-10,12-15H,1-4H3;3-9,11-15H,1-2H3;/q2*-1;/i1D3
• InChIKey: OBRNRXLNFXBTCA-GXXYEPOPSA-N
• XLogP: 9.94
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.11
LogP ≤ 5	9.94
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 iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane?

The IUPAC name of iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane (CID 162707675) is iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane.

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

The canonical SMILES for iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir].

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

The InChIKey is OBRNRXLNFXBTCA-GXXYEPOPSA-N. The full InChI is InChI=1S/C21H22NSi.C20H18N.Ir/c1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;/h5-10,12-15H,1-4H3;3-9,11-15H,1-2H3;/q2*-1;/i1D3;;.

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

iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane has a molecular weight of 784.11 g/mol, XLogP of 9.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane is sourced from PubChem (CID 162707675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).