N,N'-[(6-Chloro-1,3,5-Triazine-2,4-Diyl)Bis[Imino(9,10-Dihydro-9,10-Dioxoanthracene-5,1-Diyl)]]Bis(Benzamide)
[CAS# 49658-80-2]

Identification

• Name: N,N'-[(6-Chloro-1,3,5-Triazine-2,4-Diyl)Bis[Imino(9,10-Dihydro-9,10-Dioxoanthracene-5,1-Diyl)]]Bis(Benzamide)
• Synonyms: N-[5-[[4-[[5-(Benzoylamino)-9,10-Dioxo-1-Anthryl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-9,10-Dioxo-1-Anthryl]Benzamide; N-[5-[[4-Chloro-6-[[9,10-Dioxo-5-[(Oxo-Phenylmethyl)Amino]-1-Anthryl]Amino]-1,3,5-Triazin-2-Yl]Amino]-9,10-Dioxo-1-Anthryl]Benzamide; N-[5-[[4-[[5-(Benzoylamino)-9,10-Diketo-1-Anthryl]Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-9,10-Diketo-1-Anthryl]Benzamide
• Molecular Formula: C₄₅H₂₆ClN₇O₆
• Molecular Weight: 796.20
• CAS Registry Number: 49658-80-2
• EINECS: 256-415-4
• SMILES: C6=CC=C(NC1=NC(=NC(=N1)Cl)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=CC=C5)C7=C6C(=O)C8=C(C7=O)C=CC=C8NC(=O)C9=CC=CC=C9
• InChI: 1S/C45H26ClN7O6/c46-43-51-44(49-31-21-9-17-27-35(31)39(56)25-15-7-19-29(33(25)37(27)54)47-41(58)23-11-3-1-4-12-23)53-45(52-43)50-32-22-10-18-28-36(32)40(57)26-16-8-20-30(34(26)38(28)55)48-42(59)24-13-5-2-6-14-24/h1-22H,(H,47,58)(H,48,59)(H2,49,50,51,52,53)
• InChIKey: ITFSHPJCGBGLHV-UHFFFAOYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)