About diphenyl-bis(phenylsulfanyl)silane
diphenyl-bis(phenylsulfanyl)silane (PubChem CID 15776125) has the molecular formula C24H20S2Si
and a molecular weight of 400.64 g/mol. Its IUPAC name is diphenyl-bis(phenylsulfanyl)silane.
Molecular Properties
| Compound Name | diphenyl-bis(phenylsulfanyl)silane |
| PubChem CID | 15776125 |
| Molecular Formula | C24H20S2Si |
| Molecular Weight | 400.64 g/mol |
| Exact Mass | 400.08 |
| IUPAC Name | diphenyl-bis(phenylsulfanyl)silane |
| SMILES | c1ccc(S[Si](Sc2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C24H20S2Si/c1-5-13-21(14-6-1)25-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-22-15-7-2-8-16-22/h1-20H |
| InChIKey | BZZDMNOHBXDNHE-UHFFFAOYSA-N |
| XLogP | 5.83 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 400.64 |
| LogP ≤ 5 | 5.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of diphenyl-bis(phenylsulfanyl)silane?
The IUPAC name of diphenyl-bis(phenylsulfanyl)silane (CID 15776125) is diphenyl-bis(phenylsulfanyl)silane.
What is the SMILES notation for diphenyl-bis(phenylsulfanyl)silane?
The canonical SMILES for diphenyl-bis(phenylsulfanyl)silane is c1ccc(S[Si](Sc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-bis(phenylsulfanyl)silane?
The InChIKey is BZZDMNOHBXDNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20S2Si/c1-5-13-21(14-6-1)25-27(23-17-9-3-10-18-23,24-19-11-4-12-20-24)26-22-15-7-2-8-16-22/h1-20H.
What are the key properties of diphenyl-bis(phenylsulfanyl)silane?
diphenyl-bis(phenylsulfanyl)silane has a molecular weight of 400.64 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(phenylsulfanyl)silane is sourced from PubChem (CID 15776125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).