N-[5-[[5-(Benzoylamino)-9,10-Dioxoanthracen-1-Yl]Amino]-9,10-Dioxoanthracen-1-Yl]Benzamide
[CAS# 129-28-2]

Identification

• Name: N-[5-[[5-(Benzoylamino)-9,10-Dioxoanthracen-1-Yl]Amino]-9,10-Dioxoanthracen-1-Yl]Benzamide
• Synonyms: N-[5-[[5-(Benzoylamino)-9,10-Dioxo-1-Anthryl]Amino]-9,10-Dioxo-1-Anthryl]Benzamide; N-[5-[[9,10-Dioxo-5-[(Oxo-Phenylmethyl)Amino]-1-Anthryl]Amino]-9,10-Dioxo-1-Anthryl]Benzamide; N-[5-[[5-(Benzoylamino)-9,10-Diketo-1-Anthryl]Amino]-9,10-Diketo-1-Anthryl]Benzamide
• Molecular Formula: C₄₂H₂₅N₃O₆
• Molecular Weight: 667.68
• CAS Registry Number: 129-28-2
• EINECS: 204-938-3
• SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)C(=O)C4=C(C3=O)C=CC=C4NC8=C7C(=O)C5=C(C(=CC=C5)NC(=O)C6=CC=CC=C6)C(C7=CC=C8)=O
• InChI: 1S/C42H25N3O6/c46-37-27-17-9-21-31(44-41(50)23-11-3-1-4-12-23)35(27)39(48)25-15-7-19-29(33(25)37)43-30-20-8-16-26-34(30)38(47)28-18-10-22-32(36(28)40(26)49)45-42(51)24-13-5-2-6-14-24/h1-22,43H,(H,44,50)(H,45,51)
• InChIKey: INRJLKFJRQCGOR-UHFFFAOYSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 786.493°C at 760 mmHg (Cal.)
• Flash point: 178.798°C (Cal.)