3-[5,11,22,28,34-Pentamethyl-3,9,15,20,26,32,38,43-Octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-Pentadecaazaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]Dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-Dodecaen-45-Yl]-1-Propanaminium

Molecule SVG Image

Properties Simple | Detailed

Formula C45H55N16O8
IUPAC Name 3-[5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,11,14,19,22,25,28,31,34,37,42,45,48-pentadecaazaheptacyclo[42.2.1.1 4,7 .1 10,13 .1 21,24 .1 27,30 .1 33,36 ]dopentaconta-1(46),4(52),6 ,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaen-45-yl]-1-propanaminium
Molecular Mass 948.021 g·mol−1
Heat of Formation -590.6 ± 16.7 kJ·mol−1
Dipole Moment 9.20 ± 1.08 D
Volume 1089.96 Å 3
Surface Area 946.18 Å 2
Point Group Symmetry C1
InChIKey GJDFXZIHTKRSEM-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N