2,9-Ditridecylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
[CAS# 95689-92-2]

Identification

• Name: 2,9-Ditridecylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
• Synonyms: N,N′-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide; N,N'-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide; N,N'-DITRIDECYLPERYLENE-3,4,9,10-TETRACARBOXYLICDIIMIDE
• Molecular Formula: C₅₀H₆₂N₂O₄
• Molecular Weight: 755.04
• CAS Registry Number: 95689-92-2
• SMILES: O=C7c4c3c(ccc2c1ccc6c5c1c(c(c23)cc4)ccc5C(=O)N(C6=O)CCCCCCCCCCCCC)C(=O)N7CCCCCCCCCCCCC
• InChI: 1S/C50H62N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
• InChIKey: XCAZCFDCJHGAIT-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 849.319°C at 760 mmHg (Cal.)
• Flash point: 307.986°C (Cal.)