SpectraBase Spectrum ID |
4dFG4MNeAE9 |
Name |
cone-17,23-Bis[1-(2,3,4,5,6-pentaphenyl)phenyl)-5,11-bis(phenylethynyl)-25,26,27,28-tetrakis(propyloxy)calix[4]arene |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C128H104O4 |
InChI |
InChI=1S/C128H104O4/c1-5-73-129-125-105-77-91(71-69-89-45-21-9-22-46-89)78-106(125)86-110-82-104(124-121(101-65-41-19-42-66-101)117(97-57-33-15-34-58-97)114(94-51-27-12-28-52-94)118(98-59-35-16-36-60-98)122(124)102-67-43-20-44-68-102)84-112(128(110)132-76-8-4)88-108-80-92(72-70-90-47-23-10-24-48-90)79-107(126(108)130-74-6-2)87-111-83-103(81-109(85-105)127(111)131-75-7-3)123-119(99-61-37-17-38-62-99)115(95-53-29-13-30-54-95)113(93-49-25-11-26-50-93)116(96-55-31-14-32-56-96)120(123)100-63-39-18-40-64-100/h9-68,77-84H,5-8,73-76,85-88H2,1-4H3 |
InChIKey |
FRNJSQAGIYTSKS-UHFFFAOYSA-N |
Molecular Weight |
1706.236 g/mol |
SMILES |
c1(c(c(-c2ccccc2)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1cc2Cc3c(c(Cc4cc(-c5c(c(-c6ccccc6)c(c(c5-c5ccccc5)-c5ccccc5)-c5ccccc5)-c5ccccc5)cc(Cc5c(c(Cc(c1)c2OCCC)cc(C#Cc1ccccc1)c5)OCCC)c4OCCC)cc(C#Cc1ccccc1)c3)OCCC |
SPLASH |
splash10-0006-9000000000-b8da05a86116a22809bd |
Source of Spectrum |
K1-0-4957-8 |
Wiley ID |
1589715 |