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| IUPAC Name: | methyl 4-[3,6,8-tris(4-methoxycarbonylphenyl)pyren-1-yl]benzoate |
| Description: | 4,4',4'',4'''-(1,3,6,8-Pyrenetetrayl)tetrakis-, 1,1',1'',1'''-benzoic acid Tetramethyl Ester is an intermediate in the synthesis of 1,3,6,8-Tetra(4'-carboxyphenyl)pyrene (T291215) which is used in the synthesis of metal organic frameworks such as NU-1000. |
| Molecular Weight: | 738.78 |
| Molecular Formula: | C48H34O8 |
| Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=C(C=C7)C(=O)OC)C8=CC=C(C=C8)C(=O)OC |
| InChI: | InChI=1S/C48H34O8/c1-53-45(49)31-13-5-27(6-14-31)39-25-40(28-7-15-32(16-8-28)46(50)54-2)36-23-24-38-42(30-11-19-34(20-12-30)48(52)56-4)26-41(37-22-21-35(39)43(36)44(37)38)29-9-17-33(18-10-29)47(51)55-3/h5-26H,1-4H3 |
| InChI Key: | KOSQJXUTAMHQII-UHFFFAOYSA-N |
| Solubility: | Chloroform |
| Appearance: | Light Yellow Solid |
| References: | Kim, I., et al. Chem. Mater., 27, 4772 (2015); Kung, C., et al. ACS Appl. Mater. Interfaces (2015). |
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