4-[4-(1,1-Dimethylpropyl)Phenoxy]-2,7-Dihydro-2,7-Dioxo-6-(Phenylamino)-3H-Dibenz[f,ij]Isoquinoline-1-Carboxylic Acid Phenyl Ester
[CAS# 67906-37-0]

Identification

• Name: 4-[4-(1,1-Dimethylpropyl)Phenoxy]-2,7-Dihydro-2,7-Dioxo-6-(Phenylamino)-3H-Dibenz[f,ij]Isoquinoline-1-Carboxylic Acid Phenyl Ester
• Synonyms: 3H-Dibenz(F,Ij)Isoquinoline-1-Carboxylic Acid, 4-(4-(1,1-Dimethylpropyl)Phenoxy)-2,7-Dihydro-2,7-Dioxo-6-(Phenylamino)-, Phenyl Ester
• Molecular Formula: C₄₀H₃₂N₂O₅
• Molecular Weight: 620.70
• CAS Registry Number: 67906-37-0
• SMILES: C1=C(C(CC)(C)C)C=CC(=C1)OC3=C2NC(=O)C(=C5C2=C(C(=C3)NC4=CC=CC=C4)C(=O)C6=CC=CC=C56)C(OC7=CC=CC=C7)=O
• InChI: 1S/C40H32N2O5/c1-4-40(2,3)24-19-21-27(22-20-24)46-31-23-30(41-25-13-7-5-8-14-25)33-34-32(28-17-11-12-18-29(28)37(33)43)35(38(44)42-36(31)34)39(45)47-26-15-9-6-10-16-26/h5-23,41H,4H2,1-3H3,(H,42,44)
• InChIKey: NPBRRWQCKVFFBU-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 779.611°C at 760 mmHg (Cal.)
• Flash point: 425.293°C (Cal.)