About [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol (PubChem CID 11340199) has the molecular formula C27H38N2OSi2
and a molecular weight of 462.79 g/mol. Its IUPAC name is [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol.
Molecular Properties
| Compound Name | [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol |
| PubChem CID | 11340199 |
| Molecular Formula | C27H38N2OSi2 |
| Molecular Weight | 462.79 g/mol |
| Exact Mass | 462.25 |
| IUPAC Name | [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol |
| SMILES | CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)cc1 |
| InChI | InChI=1S/C27H38N2OSi2/c1-28(2)25-18-14-23(15-19-25)27(30,22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(31(3,4)5)32(6,7)8/h9-21,30H,1-8H3 |
| InChIKey | UAGPBKPCWWECOU-UHFFFAOYSA-N |
| XLogP | 6.51 |
| TPSA | 26.71 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 32 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 462.79 |
| LogP ≤ 5 | 6.51 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|
Analyze [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol 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(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol?
The IUPAC name of [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol (CID 11340199) is [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol.
What is the SMILES notation for [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol?
The canonical SMILES for [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol is CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)cc1.
What is the InChIKey of [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol?
The InChIKey is UAGPBKPCWWECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2OSi2/c1-28(2)25-18-14-23(15-19-25)27(30,22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(31(3,4)5)32(6,7)8/h9-21,30H,1-8H3.
What are the key properties of [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol?
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol has a molecular weight of 462.79 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol is sourced from PubChem (CID 11340199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).