2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione

C21H18NO2Si — CID 78060596

IUPAC—
SMILESO=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1NCCC[Si]
InChIInChI=1S/C21H18NO2Si/c23-18-14-17(15-8-3-1-4-9-15)21(24)19(16-10-5-2-6-11-16)20(18)22-12-7-13-25/h1-6,8-11,14,22H,7,12-13H2
InChIKeySJTKVJDLKRGWSZ-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.20
Rot. Bonds6

About 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione

2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione (PubChem CID 78060596) has the molecular formula C21H18NO2Si and a molecular weight of 344.47 g/mol.

Molecular Properties

Compound Name2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione
PubChem CID78060596
Molecular FormulaC21H18NO2Si
Molecular Weight344.47 g/mol
Exact Mass344.11
IUPAC Name—
SMILESO=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1NCCC[Si]
InChIInChI=1S/C21H18NO2Si/c23-18-14-17(15-8-3-1-4-9-15)21(24)19(16-10-5-2-6-11-16)20(18)22-12-7-13-25/h1-6,8-11,14,22H,7,12-13H2
InChIKeySJTKVJDLKRGWSZ-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione?
The IUPAC name of 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione (CID 78060596) is not available.
What is the SMILES notation for 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione?
The canonical SMILES for 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione is O=C1C=C(c2ccccc2)C(=O)C(c2ccccc2)=C1NCCC[Si].
What is the InChIKey of 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione?
The InChIKey is SJTKVJDLKRGWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO2Si/c23-18-14-17(15-8-3-1-4-9-15)21(24)19(16-10-5-2-6-11-16)20(18)22-12-7-13-25/h1-6,8-11,14,22H,7,12-13H2.
What are the key properties of 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione?
2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione has a molecular weight of 344.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2~4~-[(3-Silylpropyl)amino][1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~5~-dione is sourced from PubChem (CID 78060596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).