(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-Dioxa-8,15,28,35-Tetraazatridecacyclo[33.5.2.2~15,21~.0~1,36~.0~2,7~.0~8,40~.0~9,19~.0~13,18~.0~16,21~.0~20,28~.0~22,27~.0~29,39~.0~33,38~]Tetratetraconta-2,4,6,12,22,24,26,32-Octaene

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Formula C38H40N4O2
IUPAC Name (1r,9r,16s,18r,19r,20s,21r,29r,36s,38r,39r,40s)-10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.2 15,21 .0 1,36 .0 2,7 .0 8,40 .0 9,19 .0 13,18 .0 16,21 .0 20,28 .0 22,27 .0 29,39 .0 33,38 ]tetratetraconta-2,4,6,12,22,24,26,32-octaene
Molecular Mass 584.750 g·mol−1
Heat of Formation 167.4 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 654.93 Å 3
Surface Area 437.13 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy 3.36 ± eV
Point Group Symmetry C2
Synonyms
  • caracurine v
CAS Number(s)
  • 630-87-5
InChIKey CIRUUTNLDXXBKU-HCKBHOMASA-N
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