About 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline
4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline (PubChem CID 4175080) has the molecular formula C48H60N6OSi2
and a molecular weight of 793.22 g/mol. Its IUPAC name is 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline.
Molecular Properties
| Compound Name | 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline |
|---|
| PubChem CID | 4175080 |
|---|
| Molecular Formula | C48H60N6OSi2 |
|---|
| Molecular Weight | 793.22 g/mol |
|---|
| Exact Mass | 792.44 |
|---|
| IUPAC Name | 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline |
|---|
| SMILES | CN(C)c1ccc([Si](O[Si](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 |
|---|
| InChI | InChI=1S/C48H60N6OSi2/c1-49(2)37-13-25-43(26-14-37)56(44-27-15-38(16-28-44)50(3)4,45-29-17-39(18-30-45)51(5)6)55-57(46-31-19-40(20-32-46)52(7)8,47-33-21-41(22-34-47)53(9)10)48-35-23-42(24-36-48)54(11)12/h13-36H,1-12H3 |
|---|
| InChIKey | MYPJZIQPAAEQBE-UHFFFAOYSA-N |
|---|
| XLogP | 4.73 |
|---|
| TPSA | 28.67 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 14 |
|---|
| Heavy Atoms | 57 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 793.22 |
| LogP ≤ 5 | 4.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|
Analyze 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline?
The IUPAC name of 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline (CID 4175080) is 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline is CN(C)c1ccc([Si](O[Si](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline?
The InChIKey is MYPJZIQPAAEQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60N6OSi2/c1-49(2)37-13-25-43(26-14-37)56(44-27-15-38(16-28-44)50(3)4,45-29-17-39(18-30-45)51(5)6)55-57(46-31-19-40(20-32-46)52(7)8,47-33-21-41(22-34-47)53(9)10)48-35-23-42(24-36-48)54(11)12/h13-36H,1-12H3.
What are the key properties of 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline?
4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline has a molecular weight of 793.22 g/mol, XLogP of 4.73, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(dimethylamino)phenyl]-tris[4-(dimethylamino)phenyl]silyloxysilyl]-N,N-dimethylaniline is sourced from PubChem (CID 4175080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).