SpectraBase Spectrum ID |
ImGKqu1Vy3M |
Name |
21H,23H-Porphin-5-amine, 2,3,7,8,12,13,17,18-octaethyl- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
549.383146533 u |
Formula |
C36H47N5 |
InChI |
InChI=1S/C36H47N5/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)35(40-32)34(37)36-27(16-8)25(14-6)33(41-36)19-31-23(12-4)21(10-2)29(39-31)17-28(20)38-30/h17-19,38,41H,9-16,37H2,1-8H3/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,35-34+,36-34+ |
InChIKey |
JPCUFOHVSVCPGE-WMUZRJHQSA-N |
Molecular Weight |
549.807 g/mol |
SMILES |
C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2N)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)CC |