Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]Dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-Octadecaene-37,38,39,40,41,42-Hexol

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Formula C42H36O6
IUPAC Name heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
Molecular Mass 636.732 g·mol−1
Heat of Formation -758.6 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 736.14 Å 3
Surface Area 463.24 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • calix[6]arene
CAS Number(s)
  • 96107-95-8
InChIKey JLSWUKWFQCVKCL-UHFFFAOYSA-N
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Elements H C O