SpectraBase Spectrum ID |
3V70rU6LEfy |
Name |
4,4'-(1,4-Phenylene)bis(2-[4-(salicylideneamino)phenyl]quinazoline) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
724.258674292 u |
Formula |
C48H32N6O2 |
InChI |
InChI=1S/C48H32N6O2/c55-43-15-7-1-9-35(43)29-49-37-25-21-33(22-26-37)47-51-41-13-5-3-11-39(41)45(53-47)31-17-19-32(20-18-31)46-40-12-4-6-14-42(40)52-48(54-46)34-23-27-38(28-24-34)50-30-36-10-2-8-16-44(36)56/h1-30,55-56H/b49-29+,50-30+ |
InChIKey |
CFOBEVQMWVEGHF-ZAPDOKAZSA-N |
SMILES |
C1=CC=C(\C=N\C2=CC=C(C3=NC(C4=CC=C(C=5N=C(N=C6C=CC=CC56)C5=CC=C(\N=C\C6=CC=CC=C6O)C=C5)C=C4)=C4C(=N3)C=CC=C4)C=C2)C(=C1)O |