C118H106N14O14S2 — CID 164961913
2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one (PubChem CID 164961913) has the molecular formula C118H106N14O14S2 and a molecular weight of 2008.36 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one.
| Compound Name | 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one |
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| PubChem CID | 164961913 |
| Molecular Formula | C118H106N14O14S2 |
| Molecular Weight | 2008.36 g/mol |
| Exact Mass | 2006.75 |
| IUPAC Name | 2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one |
| SMILES | Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cc4)=C3C(=O)N2C)cc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)cn4)=C3C(=O)N2C)nc1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)o4)=C3C(=O)N2C)o1.Cc1ccc(C2=C3C(=O)N(C)C(c4ccc(C)s4)=C3C(=O)N2C)s1.Cc1ccc2c(c1)N(C)/C(=C1\C(=O)c3ccc(C)cc3N1C)C2=O.Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)N(C)c2cc(C)ccc21 |
| InChI | InChI=1S/C22H20N2O2.C20H18N4O2.2C20H18N2O2.C18H16N2O4.C18H16N2O2S2/c1-13-5-9-15(10-6-13)19-17-18(22(26)23(19)3)20(24(4)21(17)25)16-11-7-14(2)8-12-16;1-11-5-7-13(21-9-11)17-15-16(20(26)23(17)3)18(24(4)19(15)25)14-8-6-12(2)10-22-14;1-11-5-7-13-15(9-11)21(3)17(19(13)23)18-20(24)14-8-6-12(2)10-16(14)22(18)4;1-11-5-7-13-15(9-11)21(3)19(23)17(13)18-14-8-6-12(2)10-16(14)22(4)20(18)24;2*1-9-5-7-11(23-9)15-13-14(18(22)19(15)3)16(20(4)17(13)21)12-8-6-10(2)24-12/h5-12H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3/b;;2*18-17+;; |
| InChIKey | BYKOUCSNJIRDSU-BHTTZBDQSA-N |
| XLogP | 18.23 |
| TPSA | 295.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2008.36 |
| LogP ≤ 5 | 18.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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