| SpectraBase Spectrum ID |
9qpo7MbLEad |
| Name |
1,3-Benzenediol, 4-[1-(3,7,8,12,13,17,18-heptaethyl-21H,23H-porphin-2-yl)ethyl]- |
| Alternate Name(s) |
2-(1-(2,4-Dihydroxyphenyl)ethyl)heptaethylporphyrin
21H,23H-porphine, 1,3-benzenediol deriv.
4-{2-[5,9,10,14,15,19,20-heptaethyl-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-4-yl]ethyl}-1,3-benzenediol |
| CAS Registry Number |
62786-51-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H50N4O2 |
| InChI |
InChI=1S/C42H50N4O2/c1-8-26-27(9-2)35-21-37-30(12-5)31(13-6)39(45-37)23-41-33(18-16-24-15-17-25(47)19-42(24)48)32(14-7)40(46-41)22-38-29(11-4)28(10-3)36(44-38)20-34(26)43-35/h15,17,19-23,43,46-48H,8-14,16,18H2,1-7H3/b34-20-,35-21-,36-20-,37-21-,38-22-,39-23-,40-22-,41-23- |
| InChIKey |
RZQBDBIQRZVVKP-GPOZQWGWSA-N |
| Molecular Weight |
642.888 g/mol |
| SMILES |
[nH]1c2cc3nc(cc4c(CCc5c(cc(cc5)O)O)c(c(cc5nc(cc1c(c2CC)CC)c(c5CC)CC)[nH]4)CC)c(c3CC)CC |
| SPLASH |
splash10-0a4i-0110090000-167687969142990521a7 |
| Source of Spectrum |
KC-1977-1-71 |
| Wiley ID |
1412768 |
![1,3-Benzenediol, 4-[1-(3,7,8,12,13,17,18-heptaethyl-21H,23H-porphin-2-yl)ethyl]-](/api/spectrum/9qpo7MbLEad/structure.png?h=300&w=458 "1,3-Benzenediol, 4-[1-(3,7,8,12,13,17,18-heptaethyl-21H,23H-porphin-2-yl)ethyl]-")
