About diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane
diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane (PubChem CID 140814883) has the molecular formula C33H26N2Si
and a molecular weight of 478.67 g/mol. Its IUPAC name is diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane.
Molecular Properties
| Compound Name | diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane |
| PubChem CID | 140814883 |
| Molecular Formula | C33H26N2Si |
| Molecular Weight | 478.67 g/mol |
| Exact Mass | 478.19 |
| IUPAC Name | diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane |
| SMILES | c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccn(-c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/C33H26N2Si/c1-5-14-27(15-6-1)32-22-13-23-33(34-32)36(29-18-9-3-10-19-29,30-20-11-4-12-21-30)31-24-25-35(26-31)28-16-7-2-8-17-28/h1-26H |
| InChIKey | JUHJNYUKFOYLSC-UHFFFAOYSA-N |
| XLogP | 4.92 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 36 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 478.67 |
| LogP ≤ 5 | 4.92 |
| 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-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The IUPAC name of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane (CID 140814883) is diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane.
What is the SMILES notation for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The canonical SMILES for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccn(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
The InChIKey is JUHJNYUKFOYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2Si/c1-5-14-27(15-6-1)32-22-13-23-33(34-32)36(29-18-9-3-10-19-29,30-20-11-4-12-21-30)31-24-25-35(26-31)28-16-7-2-8-17-28/h1-26H.
What are the key properties of diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane?
diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane has a molecular weight of 478.67 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane is sourced from PubChem (CID 140814883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).