Phenanthro[1,10,9,8-opqra]Perylene
[CAS# 190-39-6]

Identification

• Name: Phenanthro[1,10,9,8-opqra]Perylene
• Synonyms: Phenanthro(1,10,9,8-Opqra)Perylene
• Molecular Formula: C₂₈H₁₄
• Molecular Weight: 350.42
• CAS Registry Number: 190-39-6
• SMILES: C1=CC=C5C7=C1C4=C3C8=C2C(=CC=CC2=CC3=CC=C4)C6=CC=CC(=C5)C6=C78
• InChI: 1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H
• InChIKey: RYQHWGXLBQHJST-UHFFFAOYSA-N

Properties

• Density: 1.467g/cm³ (Cal.)
• Boiling point: 604.839°C at 760 mmHg (Cal.)
• Flash point: 315.186°C (Cal.)

References

• (1): Barbara V. Unterreiner, Marek Sierka and Reinhart Ahlrichs. Reaction pathways for growth of polycyclic aromatic hydrocarbons under combustion conditions, a DFT study, Phys. Chem. Chem. Phys., 2004, 6, 4377.