2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

C87H52N12O27 — CID 158055621

About 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 158055621) has the molecular formula C87H52N12O27 and a molecular weight of 1697.43 g/mol. Its IUPAC name is 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• PubChem CID: 158055621
• Molecular Formula: C87H52N12O27
• Molecular Weight: 1697.43 g/mol
• Exact Mass: 1696.31
• IUPAC Name: 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
• SMILES: CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.O=C1C=CC(=O)N1CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CN3C(=O)C=CC3=O)C4=O)cc2C1=O.O=C1C=CC(=O)N1Cn1c(=O)c2cc3c(=O)n(CN4C(=O)C=CC4=O)c(=O)c3cc2c1=O
• InChI: InChI=1S/C41H28N4O10.C26H14N4O9.C20H10N4O8/c1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49;31-19-5-6-20(32)27(19)11-29-23(35)15-3-1-13(9-17(15)25(29)37)39-14-2-4-16-18(10-14)26(38)30(24(16)36)12-28-21(33)7-8-22(28)34;25-13-1-2-14(26)21(13)7-23-17(29)9-5-11-12(6-10(9)18(23)30)20(32)24(19(11)31)8-22-15(27)3-4-16(22)28/h3-20H,21-22H2,1-2H3;1-10H,11-12H2;1-6H,7-8H2
• InChIKey: FJZZVUOVOIZTRV-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 479.63 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1697.43
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The IUPAC name of 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 158055621) is 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

What is the SMILES notation for 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The canonical SMILES for 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(CN2C(=O)C=CC2=O)C3=O)cc1.O=C1C=CC(=O)N1CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CN3C(=O)C=CC3=O)C4=O)cc2C1=O.O=C1C=CC(=O)N1Cn1c(=O)c2cc3c(=O)n(CN4C(=O)C=CC4=O)c(=O)c3cc2c1=O.

What is the InChIKey of 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The InChIKey is FJZZVUOVOIZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O10.C26H14N4O9.C20H10N4O8/c1-41(2,23-3-7-25(8-4-23)54-27-11-13-29-31(19-27)39(52)44(37(29)50)21-42-33(46)15-16-34(42)47)24-5-9-26(10-6-24)55-28-12-14-30-32(20-28)40(53)45(38(30)51)22-43-35(48)17-18-36(43)49;31-19-5-6-20(32)27(19)11-29-23(35)15-3-1-13(9-17(15)25(29)37)39-14-2-4-16-18(10-14)26(38)30(24(16)36)12-28-21(33)7-8-22(28)34;25-13-1-2-14(26)21(13)7-23-17(29)9-5-11-12(6-10(9)18(23)30)20(32)24(19(11)31)8-22-15(27)3-4-16(22)28/h3-20H,21-22H2,1-2H3;1-10H,11-12H2;1-6H,7-8H2.

What are the key properties of 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 1697.43 g/mol, XLogP of 2.67, 20 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[(2,5-dioxopyrrol-1-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-[(2,5-dioxopyrrol-1-yl)methyl]-5-[4-[2-[4-[2-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 158055621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).