| SpectraBase Spectrum ID |
72PkWsEO4Et |
| Name |
5-[4(a)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex(e)-yl]-10,15,20-tris(4-methylphenylene)prophyrin |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C58H48N4O2 |
| InChI |
InChI=1S/C58H48N4O2/c1-33-9-15-38(16-10-33)53-44-25-27-46(59-44)54(39-17-11-34(2)12-18-39)48-29-31-50(61-48)56(41-23-21-37(22-24-41)52-36(4)57(63)42-7-5-6-8-43(42)58(52)64)51-32-30-49(62-51)55(47-28-26-45(53)60-47)40-19-13-35(3)14-20-40/h5-20,25-32,37,41,59,62H,21-24H2,1-4H3/b53-44-,53-45-,54-46-,54-48-,55-47-,55-49-,56-50-,56-51-/t37-,41- |
| InChIKey |
UEWORSUIFGRSFW-CXXJAUEXSA-N |
| Molecular Weight |
833.048 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)C)cc4)-c2ccc(cc2)C)cc3)-c2ccc(cc2)C)cc1)[C@]1(CC[C@](C2=C(C(=O)c3c(C2=O)cccc3)C)(CC1)[H])[H] |
| SPLASH |
splash10-001i-0000090010-9d7e99466a1a248b9ecd |
| Source of Spectrum |
J-62-8678-36 |
| Synonyms |
5-[4(e)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex(e)-yl]-10,15,20-tris(4-methylphenylene)prophyrin |
| Wiley ID |
1417555 |
![5-[4(a)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex(e)-yl]-10,15,20-tris(4-methylphenylene)prophyrin](/api/spectrum/72PkWsEO4Et/structure.png?h=300&w=458 "5-[4(a)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex(e)-yl]-10,15,20-tris(4-methylphenylene)prophyrin")
