| SpectraBase Compound ID | H1hfVqj1H6Y |
|---|---|
| InChI | InChI=1S/C46H43N5O2/c1-4-5-6-7-14-35-36-19-21-40(48-36)45(30-10-8-12-33(27-30)52-2)42-25-23-38(50-42)44(29-15-17-32(47)18-16-29)39-24-26-43(51-39)46(41-22-20-37(35)49-41)31-11-9-13-34(28-31)53-3/h8-13,15-28,48,51H,4-7,14,47H2,1-3H3/b36-35-,37-35-,44-38-,44-39-,45-40-,45-42-,46-41-,46-43- |
| InChIKey | SNSCVIRKHURHPK-UGIXJGTGSA-N |
| Mol Weight | 697.9 g/mol |
| Molecular Formula | C46H43N5O2 |
| Exact Mass | 697.341676 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JzlCROXcjED |
|---|---|
| Name | 5-(4-Aminophenyl)-15-hexyl-10,20-bis(3-methoxyphenyl)porphyrin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H43N5O2 |
| InChI | InChI=1S/C46H43N5O2/c1-4-5-6-7-14-35-36-19-21-40(48-36)45(30-10-8-12-33(27-30)52-2)42-25-23-38(50-42)44(29-15-17-32(47)18-16-29)39-24-26-43(51-39)46(41-22-20-37(35)49-41)31-11-9-13-34(28-31)53-3/h8-13,15-28,48,51H,4-7,14,47H2,1-3H3/b36-35-,37-35-,44-38-,44-39-,45-40-,45-42-,46-41-,46-43- |
| InChIKey | SNSCVIRKHURHPK-UGIXJGTGSA-N |
| Molecular Weight | 697.883 g/mol |
| SMILES | [nH]1c2c(c3nc(c(c4ccc(c(c5nc(c(-c6ccc(cc6)N)c1cc2)cc5)-c1cc(OC)ccc1)[nH]4)CCCCCC)cc3)-c1cc(OC)ccc1 |
| SPLASH | splash10-0002-0000009000-77a771ed4d4b3cccb416 |
| Source of Spectrum | KC-61-5556-68 |
| Synonyms | 4-[12-hexyl-7,17-bis(3-methoxyphenyl)-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-2-yl]aniline 4-[12-hexyl-7,17-bis(3-methoxyphenyl)-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-2-yl]phenylamine |
| Wiley ID | 1629559 |