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 C37H26O6
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 566.599 g·mol−1
Heat of Formation 5913.5 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 678.98 Å 3
Surface Area 443.36 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • calix[6]arene
CAS Number(s)
  • 96107-95-8
InChIKey JLSWUKWFQCVKCL-UHFFFAOYSA-N
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