iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane

C33H32IrN2Si+ — CID 168721183

About iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane

iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane (PubChem CID 168721183) has the molecular formula C33H32IrN2Si+ and a molecular weight of 676.94 g/mol. Its IUPAC name is iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane
• PubChem CID: 168721183
• Molecular Formula: C33H32IrN2Si+
• Molecular Weight: 676.94 g/mol
• Exact Mass: 677.20
• IUPAC Name: iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane
• SMILES: C[Si](C)(C)c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH2-][n+]1cccc(C)c1-c1[c-]cccc1.[Ir+3]
• InChI: InChI=1S/C20H20NSi.C13H12N.Ir/c1-22(2,3)20-14-19(17-12-8-5-9-13-17)21-15-18(20)16-10-6-4-7-11-16;1-11-7-6-10-14(2)13(11)12-8-4-3-5-9-12;/h4-12,14-15H,1-3H3;3-8,10H,2H2,1H3;/q2*-1;+3
• InChIKey: FMBSLZDYBBLOFJ-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 16.77 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.94
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane?

The IUPAC name of iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane (CID 168721183) is iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane.

What is the SMILES notation for iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane?

The canonical SMILES for iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane is C[Si](C)(C)c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH2-][n+]1cccc(C)c1-c1[c-]cccc1.[Ir+3].

What is the InChIKey of iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane?

The InChIKey is FMBSLZDYBBLOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NSi.C13H12N.Ir/c1-22(2,3)20-14-19(17-12-8-5-9-13-17)21-15-18(20)16-10-6-4-7-11-16;1-11-7-6-10-14(2)13(11)12-8-4-3-5-9-12;/h4-12,14-15H,1-3H3;3-8,10H,2H2,1H3;/q2*-1;+3.

What are the key properties of iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane?

iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane has a molecular weight of 676.94 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);1-methanidyl-3-methyl-2-phenylpyridin-1-ium;trimethyl-(5-phenyl-2-phenyl-4-pyridinyl)silane is sourced from PubChem (CID 168721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).