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
Properties
| Property | Value |
|---|---|
| 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 | 4393.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 38.99 ± 1.08 D |
| Volume | 916.46 Å 3 |
| Surface Area | 690.95 Å 2 |
| HOMO Energy | -7.30 ± 0.55 eV |
| LUMO Energy | -4.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GJDFXZIHTKRSEM-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |