| SpectraBase Compound ID | 4fSNaSSkHg6 |
|---|---|
| InChI | InChI=1S/C44H32N6/c45-31-15-7-13-29(25-31)43-37-21-19-35(48-37)41(27-9-3-1-4-10-27)33-17-18-34(47-33)42(28-11-5-2-6-12-28)36-20-22-38(49-36)44(40-24-23-39(43)50-40)30-14-8-16-32(46)26-30/h1-26,48-49H,45-46H2/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40- |
| InChIKey | BKTABJSCQAHILU-JAAFTSFNSA-N |
| Mol Weight | 644.8 g/mol |
| Molecular Formula | C44H32N6 |
| Exact Mass | 644.268845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8BuxIFOI6hn |
|---|---|
| Name | Benzenamine, 3,3'-(15,20-diphenyl-21H,23H-porphine-5,10-diyl)bis- |
| CAS Registry Number | 105705-26-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H32N6 |
| InChI | InChI=1S/C44H32N6/c45-31-15-7-13-29(25-31)43-37-21-19-35(48-37)41(27-9-3-1-4-10-27)33-17-18-34(47-33)42(28-11-5-2-6-12-28)36-20-22-38(49-36)44(40-24-23-39(43)50-40)30-14-8-16-32(46)26-30/h1-26,48-49H,45-46H2/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40- |
| InChIKey | BKTABJSCQAHILU-JAAFTSFNSA-N |
| Molecular Weight | 644.782 g/mol |
| SMILES | [nH]1c2c(-c3cc(ccc3)N)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)-c1cc(N)ccc1)cc3 |
| SPLASH | splash10-0002-0000009000-f52a71a37cd38b219cd9 |
| Source of Spectrum | Y-23-565-0 |
| Synonyms | 3-[17-(3-aminophenyl)-7,12-diphenyl-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 3-[17-(3-aminophenyl)-7,12-diphenyl-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 5,10-bis(3-aminophenyl)-15,20-diphenylporphyrin 5,15-bis(3-aminophenyl)-10,20-diphenylporphyrin |
| Wiley ID | 1412866 |