| SpectraBase Compound ID | 47F4tRpcM7K |
|---|---|
| InChI | InChI=1S/C45H40N4O/c1-3-4-5-12-19-32-34-22-24-36(46-34)43(30-15-8-6-9-16-30)38-26-28-40(48-38)45(33-20-13-14-21-42(33)50-2)41-29-27-39(49-41)44(31-17-10-7-11-18-31)37-25-23-35(32)47-37/h6-11,13-18,20-29,46,49H,3-5,12,19H2,1-2H3/b34-32-,35-32-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41- |
| InChIKey | QSXSFHUNLHGPRB-IZOYBSTMSA-N |
| Mol Weight | 652.8 g/mol |
| Molecular Formula | C45H40N4O |
| Exact Mass | 652.320212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3bhlEvQbZWe |
|---|---|
| Name | 5-Hexyl-15-(2-methoxyphenyl)-10,20-diphenylporphyrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H40N4O |
| InChI | InChI=1S/C45H40N4O/c1-3-4-5-12-19-32-34-22-24-36(46-34)43(30-15-8-6-9-16-30)38-26-28-40(48-38)45(33-20-13-14-21-42(33)50-2)41-29-27-39(49-41)44(31-17-10-7-11-18-31)37-25-23-35(32)47-37/h6-11,13-18,20-29,46,49H,3-5,12,19H2,1-2H3/b34-32-,35-32-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41- |
| InChIKey | QSXSFHUNLHGPRB-IZOYBSTMSA-N |
| Molecular Weight | 652.842 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2c(OC)cccc2)cc4)-c2ccccc2)cc3)CCCCCC)cc1)-c1ccccc1 |
| SPLASH | splash10-0f8i-0003498000-c9084ac2ffc61ee1732a |
| Source of Spectrum | KC-91-5555-65 |
| Synonyms | 2-Hexyl-12-(2-methoxyphenyl)-7,17-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-undecaene 2-[12-hexyl-7,17-diphenyl-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 | 1629462 |