1,1',1''-(1,3,5-Triazine-2,4,6-Triyltriimino)Trisanthraquinone
[CAS# 4988-89-0]

Identification

• Name: 1,1',1''-(1,3,5-Triazine-2,4,6-Triyltriimino)Trisanthraquinone
• Synonyms: 1-[[4,6-Bis[(9,10-Dioxo-1-Anthryl)Amino]-1,3,5-Triazin-2-Yl]Amino]Anthracene-9,10-Dione; 1-[[4,6-Bis[(9,10-Diketo-1-Anthryl)Amino]-S-Triazin-2-Yl]Amino]-9,10-Anthraquinone; 1,1',1''-(1,3,5-Triazine-2,4,6-Triyltriimino)Trisanthraquinone
• Molecular Formula: C₄₅H₂₄N₆O₆
• Molecular Weight: 744.72
• CAS Registry Number: 4988-89-0
• EINECS: 225-648-3
• SMILES: C8=C9C(=C(NC1=NC(=NC(=N1)NC2=C3C(=CC=C2)C(=O)C4=C(C3=O)C=CC=C4)NC5=C6C(=CC=C5)C(=O)C7=C(C6=O)C=CC=C7)C=C8)C(=O)C%10=C(C9=O)C=CC=C%10
• InChI: 1S/C45H24N6O6/c52-37-22-10-1-4-13-25(22)40(55)34-28(37)16-7-19-31(34)46-43-49-44(47-32-20-8-17-29-35(32)41(56)26-14-5-2-11-23(26)38(29)53)51-45(50-43)48-33-21-9-18-30-36(33)42(57)27-15-6-3-12-24(27)39(30)54/h1-21H,(H3,46,47,48,49,50,51)
• InChIKey: YPAKPLSPBIYFAD-UHFFFAOYSA-N

Properties

• Density: 1.564g/cm³ (Cal.)