![2,6-(methanothiomethano[1,4]benzeno[2,6]pyridino[2,6]pyridino[1,4]benzenomethanothiomethano)naphthalene](/api/spectrum/J7Ya7vpARFn/structure.png?h=300&w=458 "2,6-(methanothiomethano[1,4]benzeno[2,6]pyridino[2,6]pyridino[1,4]benzenomethanothiomethano)naphthalene")
| SpectraBase Compound ID | JrcKFbCQg3w |
|---|---|
| InChI | InChI=1S/C36H28N2S2/c1-3-33-24-40-22-25-7-12-28(13-8-25)31-18-17-30-19-27(11-16-32(30)20-31)23-39-21-26-9-14-29(15-10-26)34-4-2-6-36(38-34)35(5-1)37-33/h1-20H,21-24H2 |
| InChIKey | KIZYDHQVRPJHFP-UHFFFAOYSA-N |
| Mol Weight | 552.8 g/mol |
| Molecular Formula | C36H28N2S2 |
| Exact Mass | 552.169391 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J7Ya7vpARFn |
|---|---|
| Name | 2,6-(methanothiomethano[1,4]benzeno[2,6]pyridino[2,6]pyridino[1,4]benzenomethanothiomethano)naphthalene |
| Alternate Name(s) | 11,28-dithia-37,38-diazaheptacyclo[28.2.2.2(13,16).1(2,6).1(5,9).1(17,21).1(22,26)]tetraconta-1(32),2(40),3,5,7,9(39),13,15,17(38),18,20,22(37),23,25,30,33,35-heptadecaene |
| CAS Registry Number | 95628-38-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H28N2S2 |
| InChI | InChI=1S/C36H28N2S2/c1-3-33-24-40-22-25-7-12-28(13-8-25)31-18-17-30-19-27(11-16-32(30)20-31)23-39-21-26-9-14-29(15-10-26)34-4-2-6-36(38-34)35(5-1)37-33/h1-20H,21-24H2 |
| InChIKey | KIZYDHQVRPJHFP-UHFFFAOYSA-N |
| Molecular Weight | 552.754 g/mol |
| SMILES | c1-2nc(-c3ccc(CSCc4ccc5cc(-c6ccc(CSCc7nc2ccc7)cc6)ccc5c4)cc3)ccc1 |
| SPLASH | splash10-0a4j-0806090000-522aef7242e8b4f4a680 |
| Source of Spectrum | J-50-2090-4 |
| Wiley ID | 1406022 |