| SpectraBase Compound ID | BRqkwYU0BWV |
|---|---|
| InChI | InChI=1S/C47H35FN4O/c1-28-9-11-31(12-10-28)45-38-20-19-36(49-38)44(30-7-5-4-6-8-30)37-23-25-42(51-37)47(33-15-18-35(48)29(2)27-33)43-26-24-41(52-43)46(40-22-21-39(45)50-40)32-13-16-34(53-3)17-14-32/h4-27,50-51H,1-3H3/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,47-43- |
| InChIKey | YPJQQUQXHMWACC-YPSDBIFCSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C47H35FN4O |
| Exact Mass | 690.27949 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EXZGGqDfbj8 |
|---|---|
| Name | 5-(4-Fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-tolyl)-20-phenylporphyrin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H35FN4O |
| InChI | InChI=1S/C47H35FN4O/c1-28-9-11-31(12-10-28)45-38-20-19-36(49-38)44(30-7-5-4-6-8-30)37-23-25-42(51-37)47(33-15-18-35(48)29(2)27-33)43-26-24-41(52-43)46(40-22-21-39(45)50-40)32-13-16-34(53-3)17-14-32/h4-27,50-51H,1-3H3/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,47-43- |
| InChIKey | YPJQQUQXHMWACC-YPSDBIFCSA-N |
| Molecular Weight | 690.822 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)OC)cc4)-c2cc(C)c(cc2)F)cc3)-c2ccccc2)cc1)-c1ccc(cc1)C |
| SPLASH | splash10-0006-0000009000-f631e8a846540f9e3641 |
| Source of Spectrum | J-58-7255-38 |
| Synonyms | 2-(4-fluoro-3-methylphenyl)-17-(4-methoxyphenyl)-12-(4-methylphenyl)-7-phenyl-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 4-[7-(4-fluoro-3-methylphenyl)-17-(4-methylphenyl)-12-phenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl methyl ether |
| Wiley ID | 1414698 |