3,4-dibromo-1-(triphenylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 66518
• Molecular Formular: C23H15Br2NO2
• Molecular Mass: 497.1787
• Monoisotopic Mass: 494.94695273
• SMILES: C1(=O)C(=C(C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1)Br)Br
• Canonical SMILES: O=C1N(C(=O)C(=C1Br)Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H15Br2NO2/c24-19-20(25)22(28)26(21(19)27)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: FGDKRGOBBHAODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-1-(triphenylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 3,4-dibromo-1-(triphenylmethyl)pyrrole-2,5-dione
• Synonyms: N-Trityl-2,3-dibromomaleimide

Database IDs

• CAS Number: 160989-35-5
• MDL Number: MFCD07782026
• PubChem SID: 162032256
• PubChem CID: 45036901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.852049
• LogD (pH = 7.4): 5.852049
• Log P: 5.852049
• Molar Refractivity: 118.5169 cm^3
• Polarizability: 44.37956 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%