| SpectraBase Spectrum ID |
LBIOXkajROY |
| Name |
3,6-bis(t-Butyl)-4-(10',15',20'-triphenylporphyrin-5'-yl)-2,7-dihydrooxepin-2,7-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H44N4O3 |
| InChI |
InChI=1S/C52H44N4O3/c1-51(2,3)35-30-34(48(52(4,5)6)50(58)59-49(35)57)47-42-28-26-40(55-42)45(32-18-12-8-13-19-32)38-24-22-36(53-38)44(31-16-10-7-11-17-31)37-23-25-39(54-37)46(33-20-14-9-15-21-33)41-27-29-43(47)56-41/h7-30,53,56H,1-6H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43- |
| InChIKey |
BXDJYAPTSICYTD-ZQANTMHOSA-N |
| Molecular Weight |
772.949 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)C2=C(C(OC(C(=C2)C(C)(C)C)=O)=O)C(C)(C)C)cc3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH |
splash10-00di-1000004900-e7362752e5cec4b047f1 |
| Source of Spectrum |
K1-2000-2310-33 |
| Synonyms |
3,6-Ditert-butyl-4-[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-undecaen-2-yl]-2,7-oxepindione |
| Wiley ID |
750469 |
