2,8,14,20-Tetraundecylpentacyclo[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-4,6,10,12,16,18,22,24-Octol
[CAS# 112247-07-1]

Identification

• Name: 2,8,14,20-Tetraundecylpentacyclo[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-4,6,10,12,16,18,22,24-Octol
• Molecular Formula: C₇₂H₁₁₂O₈
• Molecular Weight: 1105.65
• CAS Registry Number: 112247-07-1
• SMILES: CCCCCCCCCCCC1c2cc(c(cc2O)O)C(c3cc(c(cc3O)O)C(c4cc(c(cc4O)O)C(c5cc1c(cc5O)O)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC
• InChI: 1S/C72H112O8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(75)49-65(57)73)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(79)51-69(61)77)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(78)52-72(64)80)55(60-46-58(53)66(74)50-68(60)76)43-39-35-31-27-23-19-15-11-7-3/h45-56,73-80H,5-44H2,1-4H3
• InChIKey: NLPGYPIHQCVVRO-UHFFFAOYSA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 1082.7°C at 760 mmHg (Cal.)
• Flash point: 326.977°C (Cal.)
• Refractive index: 1.544 (Cal.)

References

• (1): Stirling Charles J. M.. Trimorphism in solid resorcinarenes, Chemical Communications, 2007