| SpectraBase Spectrum ID |
EMaJcCFRHtp |
| Name |
5-(9,10-Dimethoxyphenanthren-3-yl)-10,15,20-triphenylporphyrin |
| Alternate Name(s) |
2-(9,10-dimethoxy-3-phenanthryl)-7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H38N4O2 |
| InChI |
InChI=1S/C54H38N4O2/c1-59-53-38-21-13-12-20-37(38)40-32-36(22-23-39(40)54(53)60-2)52-47-30-28-45(57-47)50(34-16-8-4-9-17-34)43-26-24-41(55-43)49(33-14-6-3-7-15-33)42-25-27-44(56-42)51(35-18-10-5-11-19-35)46-29-31-48(52)58-46/h3-32,55,58H,1-2H3/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48- |
| InChIKey |
LDCHGLOEPIUSMX-RCOMQYLTSA-N |
| Molecular Weight |
774.924 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc5c6c(cccc6)c(c(c5cc2)OC)OC)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH |
splash10-00fu-0000000900-609994dba50fc961b12a |
| Source of Spectrum |
K-2002-460-7 |
| Wiley ID |
1581408 |
