| SpectraBase Compound ID | IJvewkIBkmI |
|---|---|
| InChI | InChI=1S/C42H35N5/c1-2-3-14-31-32-19-21-34(44-32)40(27-10-6-4-7-11-27)36-23-25-38(46-36)42(29-15-17-30(43)18-16-29)39-26-24-37(47-39)41(28-12-8-5-9-13-28)35-22-20-33(31)45-35/h4-13,15-26,44,47H,2-3,14,43H2,1H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39- |
| InChIKey | PNDRYEWCTWCKKP-BFOVXXLESA-N |
| Mol Weight | 609.8 g/mol |
| Molecular Formula | C42H35N5 |
| Exact Mass | 609.289246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZH9YqStBjG |
|---|---|
| Name | 5-(p-Aminophenyl)-15-butyl-10,20-diphenylporphyrin |
| Alternate Name(s) | 4-[12-butyl-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]aniline 4-[12-butyl-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]phenylamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H35N5 |
| InChI | InChI=1S/C42H35N5/c1-2-3-14-31-32-19-21-34(44-32)40(27-10-6-4-7-11-27)36-23-25-38(46-36)42(29-15-17-30(43)18-16-29)39-26-24-37(47-39)41(28-12-8-5-9-13-28)35-22-20-33(31)45-35/h4-13,15-26,44,47H,2-3,14,43H2,1H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39- |
| InChIKey | PNDRYEWCTWCKKP-BFOVXXLESA-N |
| Molecular Weight | 609.777 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3ccc(c(-c4ccc(cc4)N)c4nc(c2-c2ccccc2)cc4)[nH]3)-c2ccccc2)cc1)CCCC |
| SPLASH | splash10-0bt9-0000019000-0514fee683aae4953b78 |
| Source of Spectrum | K-2001-1036-13 |
| Wiley ID | 1578775 |