| SpectraBase Spectrum ID |
JRwtqfTuNdX |
| Name |
4,4',4''-{7-[4-(Ethynyl)phenyl]adamantane-1,3,5-triyl}tribenzonitrile |
| Alternate Name(s) |
4-[3,5-bis(4-cyanophenyl)-7-(4-ethynylphenyl)-1-adamantyl]benzenecarbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H29N3 |
| InChI |
InChI=1S/C39H29N3/c1-2-28-3-11-32(12-4-28)36-22-37(33-13-5-29(19-40)6-14-33)25-38(23-36,34-15-7-30(20-41)8-16-34)27-39(24-36,26-37)35-17-9-31(21-42)10-18-35/h1,3-18H,22-27H2/t36-,37+,38-,39+ |
| InChIKey |
GRBZWYDGCLCZTM-GRNVFQFBSA-N |
| Molecular Weight |
539.682 g/mol |
| SMILES |
[C@]12(C[C@@]3(c4ccc(C#N)cc4)CC(C1)(C[C@@](C2)(C3)c1ccc(C#N)cc1)c1ccc(C#C)cc1)c1ccc(C#N)cc1 |
| SPLASH |
splash10-067i-9122050000-889cfde6909921d15d27 |
| Source of Spectrum |
U1-2010-2094-12 |
| Wiley ID |
1663661 |
![4,4',4''-{7-[4-(Ethynyl)phenyl]adamantane-1,3,5-triyl}tribenzonitrile](/api/spectrum/JRwtqfTuNdX/structure.png?h=300&w=458 "4,4',4''-{7-[4-(Ethynyl)phenyl]adamantane-1,3,5-triyl}tribenzonitrile")
