6,6'-{1,8-Octanediylbis[imino(6-phenyl-2-pyrimidinyl-4-ylidene)]}bis(2,4-cyclohexadien-1-one)
[CAS# 92736-20-4]

Identification

• Name: 6,6'-{1,8-Octanediylbis[imino(6-phenyl-2-pyrimidinyl-4-ylidene)]}bis(2,4-cyclohexadien-1-one)
• Molecular Formula: C₄₀H₄₀N₆O₂
• Molecular Weight: 636.78
• CAS Registry Number: 92736-20-4
• SMILES: O=C1/C=C\C=C/C1=C/3N/C(=N\C(c2ccccc2)=C\3)NCCCCCCCCN\C4=N\C(=C/C(N4)=C5/C=C\C=C/C5=O)c6ccccc6
• InChI: 1S/C40H40N6O2/c47-37-23-13-11-21-31(37)35-27-33(29-17-7-5-8-18-29)43-39(45-35)41-25-15-3-1-2-4-16-26-42-40-44-34(30-19-9-6-10-20-30)28-36(46-40)32-22-12-14-24-38(32)48/h5-14,17-24,27-28H,1-4,15-16,25-26H2,(H2,41,43,45)(H2,42,44,46)
• InChIKey: UTBGYMKKZFDYBM-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 815.972°C at 760 mmHg (Cal.)
• Flash point: 447.284°C (Cal.)