4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione

C292H135F3O88S13Si — CID 158896627

IUPAC4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
SMILESCC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.C[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.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)c2cc(Oc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc(S(=O)(=O)c4ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc(Sc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)Sc3ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc3S4)ccc21.O=C1OC(=O)c2cc(Sc3cccc(Cc4cccc(Sc5ccc6c(c5)C(=O)OC6=O)c4)c3)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21
InChIInChI=1S/C29H16O6S2.C29H14O6.C28H14O8S3.C28H12O6S4.C22H10O6S2.C22H10O6.C19H9F3O6.C18H12O6Si.C17H8O6.2C16H6O7.2C16H6O6S.C16H6O6/c30-26-22-9-7-20(14-24(22)28(32)34-26)36-18-5-1-3-16(12-18)11-17-4-2-6-19(13-17)37-21-8-10-23-25(15-21)29(33)35-27(23)31;30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;29-25-21-11-5-17(13-23(21)27(31)35-25)37-15-1-7-19(8-2-15)39(33,34)20-9-3-16(4-10-20)38-18-6-12-22-24(14-18)28(32)36-26(22)30;29-25-17-5-1-13(9-19(17)27(31)33-25)35-15-3-7-21-23(11-15)37-22-8-4-16(12-24(22)38-21)36-14-2-6-18-20(10-14)28(32)34-26(18)30;23-19-15-7-5-13(9-17(15)21(25)27-19)29-11-1-2-12(4-3-11)30-14-6-8-16-18(10-14)22(26)28-20(16)24;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20;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;17-13-8-5-4-7(6-10(8)15(19)22-13)21-11-3-1-2-9-12(11)16(20)23-14(9)18;17-13-9-3-1-7(5-11(9)15(19)21-13)23-8-2-4-10-12(6-8)16(20)22-14(10)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-10,12-15H,11H2;1-14H;1-14H;1-12H;1-10H;1-10H;2-7H,1H3;3-8H,1-2H3;1-4,6-7H,5H2;4*1-6H;1-6H
InChIKeyJEXJGXSFUNBHQS-UHFFFAOYSA-N
MW5553.16 g/mol
LogP49.09
Rot. Bonds39

About 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione

4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione (PubChem CID 158896627) has the molecular formula C292H135F3O88S13Si and a molecular weight of 5553.16 g/mol. Its IUPAC name is 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
PubChem CID158896627
Molecular FormulaC292H135F3O88S13Si
Molecular Weight5553.16 g/mol
Exact Mass5548.22
IUPAC Name4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
SMILESCC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.C[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.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)c2cc(Oc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc(S(=O)(=O)c4ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc(Sc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)Sc3ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc3S4)ccc21.O=C1OC(=O)c2cc(Sc3cccc(Cc4cccc(Sc5ccc6c(c5)C(=O)OC6=O)c4)c3)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21
InChIInChI=1S/C29H16O6S2.C29H14O6.C28H14O8S3.C28H12O6S4.C22H10O6S2.C22H10O6.C19H9F3O6.C18H12O6Si.C17H8O6.2C16H6O7.2C16H6O6S.C16H6O6/c30-26-22-9-7-20(14-24(22)28(32)34-26)36-18-5-1-3-16(12-18)11-17-4-2-6-19(13-17)37-21-8-10-23-25(15-21)29(33)35-27(23)31;30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;29-25-21-11-5-17(13-23(21)27(31)35-25)37-15-1-7-19(8-2-15)39(33,34)20-9-3-16(4-10-20)38-18-6-12-22-24(14-18)28(32)36-26(22)30;29-25-17-5-1-13(9-19(17)27(31)33-25)35-15-3-7-21-23(11-15)37-22-8-4-16(12-24(22)38-21)36-14-2-6-18-20(10-14)28(32)34-26(18)30;23-19-15-7-5-13(9-17(15)21(25)27-19)29-11-1-2-12(4-3-11)30-14-6-8-16-18(10-14)22(26)28-20(16)24;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20;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;17-13-8-5-4-7(6-10(8)15(19)22-13)21-11-3-1-2-9-12(11)16(20)23-14(9)18;17-13-9-3-1-7(5-11(9)15(19)21-13)23-8-2-4-10-12(6-8)16(20)22-14(10)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-10,12-15H,11H2;1-14H;1-14H;1-12H;1-10H;1-10H;2-7H,1H3;3-8H,1-2H3;1-4,6-7H,5H2;4*1-6H;1-6H
InChIKeyJEXJGXSFUNBHQS-UHFFFAOYSA-N
XLogP49.09
TPSA1266.96 Ų
H-Bond Donors
H-Bond Acceptors100
Rotatable Bonds39
Heavy Atoms397
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005553.16
LogP ≤ 549.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10100

Analyze 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione?
The IUPAC name of 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione (CID 158896627) is 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione?
The canonical SMILES for 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione is CC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.C[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.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)c2cc(Oc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc(S(=O)(=O)c4ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc(Sc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3ccc4c(c3)Sc3ccc(Sc5ccc6c(c5)C(=O)OC6=O)cc3S4)ccc21.O=C1OC(=O)c2cc(Sc3cccc(Cc4cccc(Sc5ccc6c(c5)C(=O)OC6=O)c4)c3)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21.
What is the InChIKey of 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione?
The InChIKey is JEXJGXSFUNBHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16O6S2.C29H14O6.C28H14O8S3.C28H12O6S4.C22H10O6S2.C22H10O6.C19H9F3O6.C18H12O6Si.C17H8O6.2C16H6O7.2C16H6O6S.C16H6O6/c30-26-22-9-7-20(14-24(22)28(32)34-26)36-18-5-1-3-16(12-18)11-17-4-2-6-19(13-17)37-21-8-10-23-25(15-21)29(33)35-27(23)31;30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;29-25-21-11-5-17(13-23(21)27(31)35-25)37-15-1-7-19(8-2-15)39(33,34)20-9-3-16(4-10-20)38-18-6-12-22-24(14-18)28(32)36-26(22)30;29-25-17-5-1-13(9-19(17)27(31)33-25)35-15-3-7-21-23(11-15)37-22-8-4-16(12-24(22)38-21)36-14-2-6-18-20(10-14)28(32)34-26(18)30;23-19-15-7-5-13(9-17(15)21(25)27-19)29-11-1-2-12(4-3-11)30-14-6-8-16-18(10-14)22(26)28-20(16)24;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20;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;17-13-8-5-4-7(6-10(8)15(19)22-13)21-11-3-1-2-9-12(11)16(20)23-14(9)18;17-13-9-3-1-7(5-11(9)15(19)21-13)23-8-2-4-10-12(6-8)16(20)22-14(10)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-10,12-15H,11H2;1-14H;1-14H;1-12H;1-10H;1-10H;2-7H,1H3;3-8H,1-2H3;1-4,6-7H,5H2;4*1-6H;1-6H.
What are the key properties of 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione?
4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione has a molecular weight of 5553.16 g/mol, XLogP of 49.09, 39 rotatable bonds, 0 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-[3-[[3-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]methyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfanyl-2-benzofuran-1,3-dione;5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]phenyl]sulfonylphenyl]sulfanyl-2-benzofuran-1,3-dione;5-[7-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]thianthren-2-yl]sulfanyl-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 158896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).