1-triphenylsilylpyrrole-2,5-dione

C22H17NO2Si — CID 139730516

IUPAC1-triphenylsilylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2Si/c24-21-16-17-22(25)23(21)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyLVCBHXNQGPCKKF-UHFFFAOYSA-N
MW355.47 g/mol
LogP1.58
Rot. Bonds4

About 1-triphenylsilylpyrrole-2,5-dione

1-triphenylsilylpyrrole-2,5-dione (PubChem CID 139730516) has the molecular formula C22H17NO2Si and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-triphenylsilylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-triphenylsilylpyrrole-2,5-dione
PubChem CID139730516
Molecular FormulaC22H17NO2Si
Molecular Weight355.47 g/mol
Exact Mass355.10
IUPAC Name1-triphenylsilylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO2Si/c24-21-16-17-22(25)23(21)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyLVCBHXNQGPCKKF-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilylpyrrole-2,5-dione?
The IUPAC name of 1-triphenylsilylpyrrole-2,5-dione (CID 139730516) is 1-triphenylsilylpyrrole-2,5-dione.
What is the SMILES notation for 1-triphenylsilylpyrrole-2,5-dione?
The canonical SMILES for 1-triphenylsilylpyrrole-2,5-dione is O=C1C=CC(=O)N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilylpyrrole-2,5-dione?
The InChIKey is LVCBHXNQGPCKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2Si/c24-21-16-17-22(25)23(21)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 1-triphenylsilylpyrrole-2,5-dione?
1-triphenylsilylpyrrole-2,5-dione has a molecular weight of 355.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilylpyrrole-2,5-dione is sourced from PubChem (CID 139730516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).