| SpectraBase Compound ID | 6JqNP9jFEBI |
|---|---|
| InChI | InChI=1S/C50H35N5/c1-6-16-33(17-7-1)46-38-26-27-39(52-38)47(34-18-8-2-9-19-34)41-30-31-43(54-41)49(36-22-12-4-13-23-36)50-45(51-37-24-14-5-15-25-37)32-44(55-50)48(35-20-10-3-11-21-35)42-29-28-40(46)53-42/h1-32,51-52,55H/b46-38-,46-40-,47-39-,47-41-,48-42-,48-44-,49-43-,50-49- |
| InChIKey | QWDJHSVHOJOCPZ-NACKCNKMSA-N |
| Mol Weight | 705.9 g/mol |
| Molecular Formula | C50H35N5 |
| Exact Mass | 705.289246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fk2JYWA3tTk |
|---|---|
| Name | 2-(Phenylamino)-5,10,15,20-tetraphenylporphyrin |
| Alternate Name(s) | N,2,7,12,17-pentaphenyl-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-4-amine N-phenyl-N-[2,7,12,17-tetraphenyl-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-4-yl]amine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H35N5 |
| InChI | InChI=1S/C50H35N5/c1-6-16-33(17-7-1)46-38-26-27-39(52-38)47(34-18-8-2-9-19-34)41-30-31-43(54-41)49(36-22-12-4-13-23-36)50-45(51-37-24-14-5-15-25-37)32-44(55-50)48(35-20-10-3-11-21-35)42-29-28-40(46)53-42/h1-32,51-52,55H/b46-38-,46-40-,47-39-,47-41-,48-42-,48-44-,49-43-,50-49- |
| InChIKey | QWDJHSVHOJOCPZ-NACKCNKMSA-N |
| Molecular Weight | 705.865 g/mol |
| SMILES | [nH]1c2c(cc1c(c1nc(c(c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)-c2ccccc2)cc1)-c1ccccc1)Nc1ccccc1 |
| SPLASH | splash10-0pb9-0000000900-e91d467f0d0872974e35 |
| Source of Spectrum | J-59-4437-19 |
| Wiley ID | 1415192 |