About [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane (PubChem CID 174814552) has the molecular formula C21H20O2Sn
and a molecular weight of 423.10 g/mol. Its IUPAC name is [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane.
Molecular Properties
| Compound Name | [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane |
| PubChem CID | 174814552 |
| Molecular Formula | C21H20O2Sn |
| Molecular Weight | 423.10 g/mol |
| Exact Mass | 424.05 |
| IUPAC Name | [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane |
| SMILES | COc1ccc(C([SnH])(c2ccccc2)c2ccc(OC)cc2)cc1 |
| InChI | InChI=1S/C21H19O2.Sn.H/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;;/h3-15H,1-2H3;; |
| InChIKey | TUXRDBXJDZHDNU-UHFFFAOYSA-N |
| XLogP | 3.90 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 423.10 |
| LogP ≤ 5 | 3.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The IUPAC name of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane (CID 174814552) is [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane.
What is the SMILES notation for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The canonical SMILES for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane is COc1ccc(C([SnH])(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The InChIKey is TUXRDBXJDZHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2.Sn.H/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;;/h3-15H,1-2H3;;.
What are the key properties of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane has a molecular weight of 423.10 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane is sourced from PubChem (CID 174814552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).