4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione

C96H72N10O22 — CID 160847977

About 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione

4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione (PubChem CID 160847977) has the molecular formula C96H72N10O22 and a molecular weight of 1717.68 g/mol. Its IUPAC name is 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione
• PubChem CID: 160847977
• Molecular Formula: C96H72N10O22
• Molecular Weight: 1717.68 g/mol
• Exact Mass: 1716.48
• IUPAC Name: 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione
• SMILES: CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(C)(C)C)C(C)(C)C)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2c3ccc4c5c(=O)n(C)c(=O)c5c5ccc(c2c1=O)c3c45.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
• InChI: InChI=1S/C27H30N2O4.C20H10N2O4.C19H12N2O5.C18H12N2O5.C12H8N2O4/c1-25(2,3)27(26(4,5)6,15-9-11-17-19(13-15)23(32)28(7)21(17)30)16-10-12-18-20(14-16)24(33)29(8)22(18)31;1-21-17(23)13-7-3-5-9-12-10(16-15(9)19(25)22(2)20(16)26)6-4-8(11(7)12)14(13)18(21)24;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;1-19-15(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;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h9-14H,1-8H3;3-6H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-4H,1-2H3
• InChIKey: SIWSJZCORJIFKJ-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 406.86 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.68
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione?

The IUPAC name of 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione (CID 160847977) is 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione.

What is the SMILES notation for 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione?

The canonical SMILES for 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione is CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(C)(C)C)C(C)(C)C)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2c3ccc4c5c(=O)n(C)c(=O)c5c5ccc(c2c1=O)c3c45.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.

What is the InChIKey of 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione?

The InChIKey is SIWSJZCORJIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4.C20H10N2O4.C19H12N2O5.C18H12N2O5.C12H8N2O4/c1-25(2,3)27(26(4,5)6,15-9-11-17-19(13-15)23(32)28(7)21(17)30)16-10-12-18-20(14-16)24(33)29(8)22(18)31;1-21-17(23)13-7-3-5-9-12-10(16-15(9)19(25)22(2)20(16)26)6-4-8(11(7)12)14(13)18(21)24;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;1-19-15(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;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h9-14H,1-8H3;3-6H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-4H,1-2H3.

What are the key properties of 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione?

4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione has a molecular weight of 1717.68 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4,13-dimethyl-4,13-diazahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,6,8,10,15,17,19-heptaene-3,5,12,14-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)oxyisoindole-1,3-dione;2-methyl-5-[2,2,4,4-tetramethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)pentan-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 160847977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).