[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

C117H90N4O47 — CID 159112961

About [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (PubChem CID 159112961) has the molecular formula C117H90N4O47 and a molecular weight of 2303.99 g/mol. Its IUPAC name is [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.

Molecular Properties

• Compound Name: [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
• PubChem CID: 159112961
• Molecular Formula: C117H90N4O47
• Molecular Weight: 2303.99 g/mol
• Exact Mass: 2302.48
• IUPAC Name: [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
• SMILES: O=C(NC1CCC(NC(=O)C2CCC3C(=O)OC(=O)C3C2)CC1)C1CCC2C(=O)OC(=O)C2C1.O=C(Nc1cccc(NC(=O)C2CCC3C(=O)OC(=O)C3C2)c1)C1CCC2C(=O)OC(=O)C2C1.O=C1CC2C(CC3C(=O)OC(=O)C32)C(=O)O1.O=C1OC(=O)C2CC1C1C3CC(C(=O)OC3=O)C21.O=C1OC(=O)c2cc(Cc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=c1oc(=O)c2cc3cc4c(=O)oc(=O)c4cc3cc12
• InChI: InChI=1S/C24H30N2O8.C24H24N2O8.C17H8O6.C16H6O7.C14H4O6.C12H10O6.C10H8O6/c27-19(11-1-7-15-17(9-11)23(31)33-21(15)29)25-13-3-5-14(6-4-13)26-20(28)12-2-8-16-18(10-12)24(32)34-22(16)30;27-19(11-4-6-15-17(8-11)23(31)33-21(15)29)25-13-2-1-3-14(10-13)26-20(28)12-5-7-16-18(9-12)24(32)34-22(16)30;18-14-10-3-1-8(6-12(10)16(20)22-14)5-9-2-4-11-13(7-9)17(21)23-15(11)19;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11;13-9-3-1-4(10(14)17-9)8-6-2-5(7(3)8)11(15)18-12(6)16;11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h11-18H,1-10H2,(H,25,27)(H,26,28);1-3,10-12,15-18H,4-9H2,(H,25,27)(H,26,28);1-4,6-7H,5H2;1-6H;1-4H;3-8H,1-2H2;3-5,7H,1-2H2
• InChIKey: KESPFHBRDGLPNC-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 740.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2303.99
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	4
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': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?

The IUPAC name of [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (CID 159112961) is [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.

What is the SMILES notation for [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?

The canonical SMILES for [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is O=C(NC1CCC(NC(=O)C2CCC3C(=O)OC(=O)C3C2)CC1)C1CCC2C(=O)OC(=O)C2C1.O=C(Nc1cccc(NC(=O)C2CCC3C(=O)OC(=O)C3C2)c1)C1CCC2C(=O)OC(=O)C2C1.O=C1CC2C(CC3C(=O)OC(=O)C32)C(=O)O1.O=C1OC(=O)C2CC1C1C3CC(C(=O)OC3=O)C21.O=C1OC(=O)c2cc(Cc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=c1oc(=O)c2cc3cc4c(=O)oc(=O)c4cc3cc12.

What is the InChIKey of [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?

The InChIKey is KESPFHBRDGLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O8.C24H24N2O8.C17H8O6.C16H6O7.C14H4O6.C12H10O6.C10H8O6/c27-19(11-1-7-15-17(9-11)23(31)33-21(15)29)25-13-3-5-14(6-4-13)26-20(28)12-2-8-16-18(10-12)24(32)34-22(16)30;27-19(11-4-6-15-17(8-11)23(31)33-21(15)29)25-13-2-1-3-14(10-13)26-20(28)12-5-7-16-18(9-12)24(32)34-22(16)30;18-14-10-3-1-8(6-12(10)16(20)22-14)5-9-2-4-11-13(7-9)17(21)23-15(11)19;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;15-11-7-1-5-2-9-10(14(18)20-13(9)17)4-6(5)3-8(7)12(16)19-11;13-9-3-1-4(10(14)17-9)8-6-2-5(7(3)8)11(15)18-12(6)16;11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h11-18H,1-10H2,(H,25,27)(H,26,28);1-3,10-12,15-18H,4-9H2,(H,25,27)(H,26,28);1-4,6-7H,5H2;1-6H;1-4H;3-8H,1-2H2;3-5,7H,1-2H2.

What are the key properties of [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?

[2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione has a molecular weight of 2303.99 g/mol, XLogP of 6.27, 12 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [2]benzofuro[5,6-f][2]benzofuran-1,3,6,8-tetrone;5,11-dioxatetracyclo[7.3.1.13,7.02,8]tetradecane-4,6,10,12-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;N-[4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]cyclohexyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;N-[3-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carbonyl)amino]phenyl]-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-carboxamide;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 159112961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).