About triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane
triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane (PubChem CID 10621998) has the molecular formula C29H29NSi
and a molecular weight of 419.64 g/mol. Its IUPAC name is triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane.
Molecular Properties
| Compound Name | triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane |
| PubChem CID | 10621998 |
| Molecular Formula | C29H29NSi |
| Molecular Weight | 419.64 g/mol |
| Exact Mass | 419.21 |
| IUPAC Name | triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane |
| SMILES | c1ccc(C(N2CCCC2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C29H29NSi/c1-5-15-25(16-6-1)29(30-23-13-14-24-30)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29H,13-14,23-24H2 |
| InChIKey | NBCPWUKHIBHSMH-UHFFFAOYSA-N |
| XLogP | 4.53 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 31 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 419.64 |
| LogP ≤ 5 | 4.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The IUPAC name of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane (CID 10621998) is triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane.
What is the SMILES notation for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The canonical SMILES for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane is c1ccc(C(N2CCCC2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
The InChIKey is NBCPWUKHIBHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NSi/c1-5-15-25(16-6-1)29(30-23-13-14-24-30)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29H,13-14,23-24H2.
What are the key properties of triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane?
triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane has a molecular weight of 419.64 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane is sourced from PubChem (CID 10621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).