SpectraBase Spectrum ID |
IKgy3VpNfoJ |
Name |
1,3-Bis(5-ethyloxycarbonyl-3-butyl-4-methyl-2-pyrrolylmethyl)-7,8-diazaphenanthro[9,10-c]pyrrole |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C40H47N5O4 |
InChI |
InChI=1S/C40H47N5O4/c1-7-25(19-33(46)48-9-3)37-23(5)17-27(43-37)21-31-35-29-13-11-15-41-39(29)40-30(14-12-16-42-40)36(35)32(45-31)22-28-18-24(6)38(44-28)26(8-2)20-34(47)49-10-4/h11-18,25-26,43-45H,7-10,19-22H2,1-6H3 |
InChIKey |
SHHFHIDGRQWWCG-UHFFFAOYSA-N |
Molecular Weight |
661.847 g/mol |
SMILES |
[nH]1c(Cc2c3c(c(Cc4cc(c([nH]4)C(CC(=O)OCC)CC)C)[nH]2)c2c(c4ncccc34)nccc2)cc(C)c1C(CC(=O)OCC)CC |
SPLASH |
splash10-03dm-0004915000-9f3a2e7e8a27f0a0a160 |
Source of Spectrum |
KC-61-11610-18 |
Synonyms |
Ethyl 3-{5-[(7-{[5-(3-ethoxy-1-ethyl-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-6H-pyrrolo[3,4-f][1,10]phenanthrolin-5-yl)methyl]-3-methyl-1H-pyrrol-2-yl}pentanoate |
Wiley ID |
1631533 |