| SpectraBase Compound ID | 7EWnWt5faX7 |
|---|---|
| InChI | InChI=1S/C46H43N5/c1-4-5-6-13-18-35-36-23-25-38(47-36)44(31-14-9-7-10-15-31)40-27-29-42(49-40)46(33-19-21-34(22-20-33)51(2)3)43-30-28-41(50-43)45(32-16-11-8-12-17-32)39-26-24-37(35)48-39/h7-12,14-17,19-30,47,50H,4-6,13,18H2,1-3H3/b36-35-,37-35-,44-38-,44-40-,45-39-,45-41-,46-42-,46-43- |
| InChIKey | JOHYIXDZMWHOIC-OOMNEMIWSA-N |
| Mol Weight | 665.9 g/mol |
| Molecular Formula | C46H43N5 |
| Exact Mass | 665.351846 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7SMeSFkNK0D |
|---|---|
| Name | 5-(4-Dimethylaminophenyl)-15-hexyl-10,20-diphenylporphyrin |
| Alternate Name(s) | 4-[12-hexyl-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]-N,N-dimethylaniline N-{4-[12-hexyl-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenyl}-N,N-dimethylamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H43N5 |
| InChI | InChI=1S/C46H43N5/c1-4-5-6-13-18-35-36-23-25-38(47-36)44(31-14-9-7-10-15-31)40-27-29-42(49-40)46(33-19-21-34(22-20-33)51(2)3)43-30-28-41(50-43)45(32-16-11-8-12-17-32)39-26-24-37(35)48-39/h7-12,14-17,19-30,47,50H,4-6,13,18H2,1-3H3/b36-35-,37-35-,44-38-,44-40-,45-39-,45-41-,46-42-,46-43- |
| InChIKey | JOHYIXDZMWHOIC-OOMNEMIWSA-N |
| Molecular Weight | 665.885 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccc(cc2)N(C)C)cc3)-c2ccccc2)cc1)CCCCCC |
| SPLASH | splash10-014l-0004079000-e5ccdfd221a678afd640 |
| Source of Spectrum | KC-91-5554-62 |
| Wiley ID | 1629465 |