![bis{5-[4'-( 10"-Bromodecyloxy)phenyl-]-10",15'-20"-tris(4-methylphenyl)porphyrinato-cerium](/api/spectrum/58hLI5vnkG/structure.png?h=300&w=458 "bis{5-[4'-( 10\"-Bromodecyloxy)phenyl-]-10\",15'-20\"-tris(4-methylphenyl)porphyrinato-cerium")
| SpectraBase Compound ID | HfgqRDmZCUi |
|---|---|
| InChI | InChI=1S/2C57H53BrN4O.Ce/c2*1-38-12-18-41(19-13-38)54-46-28-30-48(59-46)55(42-20-14-39(2)15-21-42)50-32-34-52(61-50)57(44-24-26-45(27-25-44)63-37-11-9-7-5-4-6-8-10-36-58)53-35-33-51(62-53)56(49-31-29-47(54)60-49)43-22-16-40(3)17-23-43;/h2*12-35H,4-11,36-37H2,1-3H3;/q2*-2;+4/b2*54-46-,54-47-,55-48-,55-50-,56-49-,56-51-,57-52-,57-53-; |
| InChIKey | BQGKDAUIXCYSRI-VHXWKUACSA-N |
| Mol Weight | 1920.1 g/mol |
| Molecular Formula | C114H106Br2CeN8O2 |
| Exact Mass | 1916.586001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58hLI5vnkG |
|---|---|
| Name | bis{5-[4'-( 10"-Bromodecyloxy)phenyl-]-10",15'-20"-tris(4-methylphenyl)porphyrinato-cerium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C114H106Br2CeN8O2 |
| InChI | InChI=1S/2C57H53BrN4O.Ce/c2*1-38-12-18-41(19-13-38)54-46-28-30-48(59-46)55(42-20-14-39(2)15-21-42)50-32-34-52(61-50)57(44-24-26-45(27-25-44)63-37-11-9-7-5-4-6-8-10-36-58)53-35-33-51(62-53)56(49-31-29-47(54)60-49)43-22-16-40(3)17-23-43;/h2*12-35H,4-11,36-37H2,1-3H3;/q2*-2;+4/b2*54-46-,54-47-,55-48-,55-50-,56-49-,56-51-,57-52-,57-53-; |
| InChIKey | BQGKDAUIXCYSRI-VHXWKUACSA-N |
| Molecular Weight | 1920.080 g/mol |
| SMILES | C=12[N]=3[Ce]45678(N9C(=C(C3C=C2)c2ccc(cc2)C)C=CC9=C(c2ccc(cc2)C)C2=[N]6C(C=C2)=C(c2[n]8c(C1c1ccc(cc1)OCCCCCCCCCCBr)cc2)c1ccc(cc1)C)[N]=1C=2C=CC1C(=C1N4C(=C(c3ccc(cc3)C)C3=[N]7C(C=C3)=C(c3[n]5c(C2c2ccc(cc2)C)cc3)c2ccc(cc2)OCCCCCCCCCCBr)C=C1)c1ccc(cc1)C |
| SPLASH | splash10-0006-0000000095-982d87164c7bda341644 |
| Source of Spectrum | K-129-1080-2 |
| Synonyms | 7,12'-bis({4-[(10-bromodecyl)oxy]phenyl})-7',12,17,17',24,24'-hexakis(4-methylphenyl)-2,2',22,22',23,23',25,25'-octaaza-1-cera-1,1'-spirobi[octacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosane]-2,2',4,4',6,6',8,8',10,10',12,12',14,14',16(23),16'(23'),17,17',19,19',21(24),21'(24')-docosaene |
| Wiley ID | 1418891 |