7,15,23,31-Tetramethyl-1,5,9,13,17,21,25,29-Octaazapentacyclo[27.3.1.1~5,9~.1~13,17~.1~21,25~]Hexatriaconta-7,14,23,30-Tetraene-6,16,22,32,33,34,35,36-Octone

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Formula C32H40N8O8++++++++
IUPAC Name 7,15,23,31-tetramethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.1 5,9 .1 13,17 .1 21,25 ]hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone
Molecular Mass 664.709 g·mol−1
Heat of Formation -1481.5 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 750.16 Å 3
Surface Area 505.44 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C2
Synonyms
  • 1,3-trimethylene thymine cyclic tetramer
  • 1,3-ttct
  • 1,5,9,13,17,21,25,29-octaazapentacyclo(27.3.1.15,9.113,17.121,25)hexatriaconta-7,14,23,30-tetraene-6,16,22,32,33,34,35,36-octone, 7,15,23,31-tetramethyl-
CAS Number(s)
  • 68675-73-0
InChIKey ZKCMPSNOGVCLMX-UHFFFAOYSA-N
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