2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione

C146H103F3N16O36S — CID 159193663

About 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione

2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 159193663) has the molecular formula C146H103F3N16O36S and a molecular weight of 2746.57 g/mol. Its IUPAC name is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
• PubChem CID: 159193663
• Molecular Formula: C146H103F3N16O36S
• Molecular Weight: 2746.57 g/mol
• Exact Mass: 2744.64
• IUPAC Name: 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
• SMILES: CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
• InChI: InChI=1S/C21H15F3N2O4.C21H18N2O4.C19H12N2O5.C19H14N2O4.C18H12N2O6S.C18H12N2O5.C18H12N2O4.C12H8N2O4/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;1-20-16(23)11-5-3-9(7-13(11)18(20)25)15(22)10-4-6-12-14(8-10)19(26)21(2)17(12)24;1-20-16(22)12-5-3-10(8-14(12)18(20)24)7-11-4-6-13-15(9-11)19(25)21(2)17(13)23;1-19-15(21)11-5-3-9(7-13(11)17(19)23)27(25,26)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-19-15(21)11-5-3-9(7-13(11)17(19)23)25-10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h4-9H,1-3H3;5-10H,1-4H3;3-8H,1-2H3;3-6,8-9H,7H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-4H,1-2H3
• InChIKey: KOJZLUHNJMWXSW-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 661.90 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 13
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2746.57
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione (CID 159193663) is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?

The canonical SMILES for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione is CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.

What is the InChIKey of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?

The InChIKey is KOJZLUHNJMWXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4.C21H18N2O4.C19H12N2O5.C19H14N2O4.C18H12N2O6S.C18H12N2O5.C18H12N2O4.C12H8N2O4/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;1-20-16(23)11-5-3-9(7-13(11)18(20)25)15(22)10-4-6-12-14(8-10)19(26)21(2)17(12)24;1-20-16(22)12-5-3-10(8-14(12)18(20)24)7-11-4-6-13-15(9-11)19(25)21(2)17(13)23;1-19-15(21)11-5-3-9(7-13(11)17(19)23)27(25,26)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-19-15(21)11-5-3-9(7-13(11)17(19)23)25-10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h4-9H,1-3H3;5-10H,1-4H3;3-8H,1-2H3;3-6,8-9H,7H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-4H,1-2H3.

What are the key properties of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?

2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 2746.57 g/mol, XLogP of 12.26, 13 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 159193663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).