| SpectraBase Spectrum ID |
EgTv8mJkl8T |
| Name |
1,4,7,10,13,16-Hexakis[(2,2'-bipyridin-6-yl)methyl]-1,4,7,10,13,16-hexaazacyclooctadecane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1266.665684584 u |
| Formula |
C78H78N18 |
| InChI |
InChI=1S/C78H78N18/c1-7-37-79-67(25-1)73-31-13-19-61(85-73)55-91-43-45-92(56-62-20-14-32-74(86-62)68-26-2-8-38-80-68)47-49-94(58-64-22-16-34-76(88-64)70-28-4-10-40-82-70)51-53-96(60-66-24-18-36-78(90-66)72-30-6-12-42-84-72)54-52-95(59-65-23-17-35-77(89-65)71-29-5-11-41-83-71)50-48-93(46-44-91)57-63-21-15-33-75(87-63)69-27-3-9-39-81-69/h1-42H,43-60H2 |
| InChIKey |
KZFHSYORECFMRE-UHFFFAOYSA-N |
| Molecular Weight |
1267.608 g/mol |
| SMILES |
C1(=NC(=CC=C1)CN1CCN(CC=2N=C(C=3N=CC=CC3)C=CC2)CCN(CC=2N=C(C=3N=CC=CC3)C=CC2)CCN(CCN(CCN(CC1)CC=1N=C(C=2N=CC=CC2)C=CC1)CC=1N=C(C=2N=CC=CC2)C=CC1)CC=1N=C(C2=NC=CC=C2)C=CC1)C=1N=CC=CC1 |
![1,4,7,10,13,16-Hexakis[(2,2'-bipyridin-6-yl)methyl]-1,4,7,10,13,16-hexaazacyclooctadecane](/api/spectrum/EgTv8mJkl8T/structure.png?h=300&w=458 "1,4,7,10,13,16-Hexakis[(2,2'-bipyridin-6-yl)methyl]-1,4,7,10,13,16-hexaazacyclooctadecane")
