4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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

C167H125F3N20O44S — CID 158138158

IUPAC4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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
SMILESCN1C(=O)C2C(C1=O)C1C(=O)N(C)C(=O)C21.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=O.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
InChIInChI=1S/C21H15F3N2O4.C21H18N2O4.C19H12N2O5.C19H14N2O4.C18H12N2O6S.C18H12N2O5.C18H12N2O4.C12H8N2O4.C11H12N2O4.C10H10N2O4/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;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-11-7(13)3-4(8(11)14)6-5(3)9(15)12(2)10(6)16/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;4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyFTPJZDKSMUVTAM-UHFFFAOYSA-N
MW3204.99 g/mol
LogP9.58
Rot. Bonds13

About 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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

4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 158138158) has the molecular formula C167H125F3N20O44S and a molecular weight of 3204.99 g/mol. Its IUPAC name is 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 Name4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 CID158138158
Molecular FormulaC167H125F3N20O44S
Molecular Weight3204.99 g/mol
Exact Mass3202.78
IUPAC Name4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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
SMILESCN1C(=O)C2C(C1=O)C1C(=O)N(C)C(=O)C21.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=O.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
InChIInChI=1S/C21H15F3N2O4.C21H18N2O4.C19H12N2O5.C19H14N2O4.C18H12N2O6S.C18H12N2O5.C18H12N2O4.C12H8N2O4.C11H12N2O4.C10H10N2O4/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;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-11-7(13)3-4(8(11)14)6-5(3)9(15)12(2)10(6)16/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;4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyFTPJZDKSMUVTAM-UHFFFAOYSA-N
XLogP9.58
TPSA811.42 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds13
Heavy Atoms235
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003204.99
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 158138158) is 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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)C2C(C1=O)C1C(=O)N(C)C(=O)C21.CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=O.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 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 FTPJZDKSMUVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4.C21H18N2O4.C19H12N2O5.C19H14N2O4.C18H12N2O6S.C18H12N2O5.C18H12N2O4.C12H8N2O4.C11H12N2O4.C10H10N2O4/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;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-11-7(13)3-4(8(11)14)6-5(3)9(15)12(2)10(6)16/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;4-7H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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?
4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 3204.99 g/mol, XLogP of 9.58, 13 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;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 158138158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).