Pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene
[CAS# 281-54-9]

Identification

• Name: Pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene
• Synonyms: InChI=1/C28H24/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21/h1-16H,17-20H2; pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene; pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
• Molecular Formula: C₂₈H₂₄
• Molecular Weight: 360.49
• CAS Registry Number: 281-54-9
• SMILES: C1C2=CC(=CC=C2)CC3=CC(=CC=C3)CC4=CC=CC(=C4)CC5=CC=CC1=C5
• InChI: 1S/C28H24/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21/h1-16H,17-20H2
• InChIKey: GQPLZGRPYWLBPW-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 525.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 270.6±22.8°C (Cal.)
• Refractive index: 1.621 (Cal.)

References

• (1): Tomoki Ogoshi, Yoko Nishida, Tada-aki Yamagishi and Yoshiaki Nakamoto. Synthesis and host–guest properties of an alternating copolymer containing calix[4]arene and calix[6]arene in its main chain, Polym. Chem., 2010, 1, 203.