SpectraBase Spectrum ID |
3PSsWU3hI9X |
Name |
4,6-bis[4-((4-(Diphenylamino)phenyl) ethynyl)phenyl]dibenzo[B,D]furan |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
854.329713979 u |
Formula |
C64H42N2O |
InChI |
InChI=1S/C64H42N2O/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H |
InChIKey |
IOEHASZDODKWIH-UHFFFAOYSA-N |
Molecular Weight |
855.053 g/mol |
SMILES |
C1=2OC3=C(C4=CC=C(C#CC=5C=CC(N(C=6C=CC=CC6)C=6C=CC=CC6)=CC5)C=C4)C=CC=C3C1=CC=CC2C1=CC=C(C#CC=2C=CC(N(C=3C=CC=CC3)C=3C=CC=CC3)=CC2)C=C1 |