5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C149H114F2O47 — CID 157242967

About 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 157242967) has the molecular formula C149H114F2O47 and a molecular weight of 2694.50 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

• Compound Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
• PubChem CID: 157242967
• Molecular Formula: C149H114F2O47
• Molecular Weight: 2694.50 g/mol
• Exact Mass: 2692.65
• IUPAC Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
• SMILES: C=CC(C/C=C/CC/C(=C\CC1CC(=O)OC1=O)CCC)CC/C=C/C/C(=C/CC1CC(=O)OC1=O)C/C=C/CC.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.CC1=C(C2CC(=O)OC2=O)CCC2C(=O)OC(=O)C12.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1C=C(C/C=C/C=C/CC2CC(=O)OC2=O)C(=O)O1.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
• InChI: InChI=1S/C35H48O6.C31H20O8.C29H14F2O8.C17H6O7.C14H12O6.C13H12O6.C10H2O6/c1-4-7-10-18-29(22-24-31-26-33(37)41-35(31)39)20-14-9-12-17-27(6-3)16-11-8-13-19-28(15-5-2)21-23-30-25-32(36)40-34(30)38;1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;15-11-7-9(13(17)19-11)5-3-1-2-4-6-10-8-12(16)20-14(10)18;1-5-6(8-4-9(14)18-12(8)16)2-3-7-10(5)13(17)19-11(7)15;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h6-11,14,21-22,27,30-31H,3-5,12-13,15-20,23-26H2,1-2H3;3-16H,1-2H3;1-14H;1-6H;1-4,7,10H,5-6,8H2;7-8,10H,2-4H2,1H3;1-2H/b10-7+,11-8+,14-9+,28-21-,29-22+;;;;3-1+,4-2+
• InChIKey: AVKOSVIXIIQNFC-ICYBAFHFSA-N
• XLogP: 22.98
• TPSA: 668.99 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 40
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.50
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The IUPAC name of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 157242967) is 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

What is the SMILES notation for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The canonical SMILES for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is C=CC(C/C=C/CC/C(=C\CC1CC(=O)OC1=O)CCC)CC/C=C/C/C(=C/CC1CC(=O)OC1=O)C/C=C/CC.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.CC1=C(C2CC(=O)OC2=O)CCC2C(=O)OC(=O)C12.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1C=C(C/C=C/C=C/CC2CC(=O)OC2=O)C(=O)O1.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12.

What is the InChIKey of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

The InChIKey is AVKOSVIXIIQNFC-ICYBAFHFSA-N. The full InChI is InChI=1S/C35H48O6.C31H20O8.C29H14F2O8.C17H6O7.C14H12O6.C13H12O6.C10H2O6/c1-4-7-10-18-29(22-24-31-26-33(37)41-35(31)39)20-14-9-12-17-27(6-3)16-11-8-13-19-28(15-5-2)21-23-30-25-32(36)40-34(30)38;1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;15-11-7-9(13(17)19-11)5-3-1-2-4-6-10-8-12(16)20-14(10)18;1-5-6(8-4-9(14)18-12(8)16)2-3-7-10(5)13(17)19-11(7)15;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h6-11,14,21-22,27,30-31H,3-5,12-13,15-20,23-26H2,1-2H3;3-16H,1-2H3;1-14H;1-6H;1-4,7,10H,5-6,8H2;7-8,10H,2-4H2,1H3;1-2H/b10-7+,11-8+,14-9+,28-21-,29-22+;;;;3-1+,4-2+;;.

What are the key properties of 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?

5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 2694.50 g/mol, XLogP of 22.98, 40 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;3-[(2Z,6E,12E,15E,17E)-15-[2-(2,5-dioxooxolan-3-yl)ethylidene]-9-ethenyl-3-propylicosa-2,6,12,17-tetraenyl]oxolane-2,5-dione;3-[(2E,4E)-6-(2,5-dioxooxolan-3-yl)hexa-2,4-dienyl]furan-2,5-dione;6-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 157242967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).