![5-[4-(Aminomethyladamanthyl-3)-phenyl]-10,15,20-triphenyl-21H,23H-porphine](/api/spectrum/FlW5dsVjk9b/structure.png?h=300&w=458 "5-[4-(Aminomethyladamanthyl-3)-phenyl]-10,15,20-triphenyl-21H,23H-porphine")
| SpectraBase Compound ID | HfYsDwXDOTD |
|---|---|
| InChI | InChI=1S/C55H47N5/c56-34-54-29-35-28-36(30-54)32-55(31-35,33-54)41-18-16-40(17-19-41)53-48-26-24-46(59-48)51(38-12-6-2-7-13-38)44-22-20-42(57-44)50(37-10-4-1-5-11-37)43-21-23-45(58-43)52(39-14-8-3-9-15-39)47-25-27-49(53)60-47/h1-27,35-36,57,60H,28-34,56H2/b50-42-,50-43-,51-44-,51-46-,52-45-,52-47-,53-48-,53-49-/t35-,36+,54+,55- |
| InChIKey | NVCGPGREWVEBET-CJTPFOEISA-N |
| Mol Weight | 778.0 g/mol |
| Molecular Formula | C55H47N5 |
| Exact Mass | 777.383147 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FlW5dsVjk9b |
|---|---|
| Name | 5-[4-(Aminomethyladamanthyl-3)-phenyl]-10,15,20-triphenyl-21H,23H-porphine |
| CAS Registry Number | 142230-17-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C55H47N5 |
| InChI | InChI=1S/C55H47N5/c56-34-54-29-35-28-36(30-54)32-55(31-35,33-54)41-18-16-40(17-19-41)53-48-26-24-46(59-48)51(38-12-6-2-7-13-38)44-22-20-42(57-44)50(37-10-4-1-5-11-37)43-21-23-45(58-43)52(39-14-8-3-9-15-39)47-25-27-49(53)60-47/h1-27,35-36,57,60H,28-34,56H2/b50-42-,50-43-,51-44-,51-46-,52-45-,52-47-,53-48-,53-49-/t35-,36+,54+,55- |
| InChIKey | NVCGPGREWVEBET-CJTPFOEISA-N |
| Molecular Weight | 778.016 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(-c3ccc([C@@]45C[C@]6(CN)C[C@](C5)(C[C@](C4)(C6)[H])[H])cc3)c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)cc1)-c1ccccc1 |
| SPLASH | splash10-004i-0000000900-aa66255ce8fec1352d87 |
| Source of Spectrum | NP-16-2811-0 |
| Wiley ID | 1113375 |