1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine

C35H35N3Si — CID 158184309

About 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine

1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 158184309) has the molecular formula C35H35N3Si and a molecular weight of 525.77 g/mol. Its IUPAC name is 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

• Compound Name: 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
• PubChem CID: 158184309
• Molecular Formula: C35H35N3Si
• Molecular Weight: 525.77 g/mol
• Exact Mass: 525.26
• IUPAC Name: 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
• SMILES: CC(=N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(/C(C)=N/c2c(C)cc(C)cc2C)[nH]1
• InChI: InChI=1S/C35H35N3Si/c1-25-23-26(2)35(27(3)24-25)36-28(4)33-21-22-34(37-33)29(5)38-39(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-24,37H,1-5H3/b36-28+,38-29?
• InChIKey: OZWOXUYSYQPJMR-KCIBXXOBSA-N
• XLogP: 6.56
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.77
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?

The IUPAC name of 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine (CID 158184309) is 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine.

What is the SMILES notation for 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?

The canonical SMILES for 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine is CC(=N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(/C(C)=N/c2c(C)cc(C)cc2C)[nH]1.

What is the InChIKey of 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?

The InChIKey is OZWOXUYSYQPJMR-KCIBXXOBSA-N. The full InChI is InChI=1S/C35H35N3Si/c1-25-23-26(2)35(27(3)24-25)36-28(4)33-21-22-34(37-33)29(5)38-39(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-24,37H,1-5H3/b36-28+,38-29?.

What are the key properties of 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine?

1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 525.77 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 158184309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).