heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid

C237H123F3N14O56S — CID 158141321

About heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid

heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid (PubChem CID 158141321) has the molecular formula C237H123F3N14O56S and a molecular weight of 4151.69 g/mol. Its IUPAC name is heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid.

Molecular Properties

• Compound Name: heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid
• PubChem CID: 158141321
• Molecular Formula: C237H123F3N14O56S
• Molecular Weight: 4151.69 g/mol
• Exact Mass: 4148.69
• IUPAC Name: heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid
• SMILES: C#Cc1cc(C(=O)O)cc(N2CC3C(C2)C2C(=O)N(c4cccc(C#C)c4)C(=O)C32)c1.C#Cc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(C)(C)c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)C(F)(F)F)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(Sc4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C36H19F3N2O6.C36H22N2O6.C34H16N2O7.C33H16N2O7.C33H16N2O6S.C33H16N2O6.C25H18N2O4.7CO2/c1-4-19-7-6-8-24(14-19)40-30(42)26-11-9-22(17-28(26)32(40)44)35(3,36(37,38)39)23-10-12-27-29(18-23)33(45)41(31(27)43)25-15-20(5-2)13-21(16-25)34(46)47;1-5-20-8-7-9-25(15-20)37-31(39)27-12-10-23(18-29(27)33(37)41)36(3,4)24-11-13-28-30(19-24)34(42)38(32(28)40)26-16-21(6-2)14-22(17-26)35(43)44;1-3-18-6-5-7-23(13-18)35-30(38)25-10-8-20(16-27(25)32(35)40)29(37)21-9-11-26-28(17-21)33(41)36(31(26)39)24-14-19(4-2)12-22(15-24)34(42)43;2*1-3-18-6-5-7-21(13-18)34-29(36)25-10-8-23(16-27(25)31(34)38)42-24-9-11-26-28(17-24)32(39)35(30(26)37)22-14-19(4-2)12-20(15-22)33(40)41;1-3-18-6-5-7-23(13-18)34-29(36)25-10-8-20(16-27(25)31(34)38)21-9-11-26-28(17-21)32(39)35(30(26)37)24-14-19(4-2)12-22(15-24)33(40)41;1-3-14-6-5-7-17(9-14)27-23(28)21-19-12-26(13-20(19)22(21)24(27)29)18-10-15(4-2)8-16(11-18)25(30)31;7*2-1-3/h1-2,6-18H,3H3,(H,46,47);1-2,7-19H,3-4H3,(H,43,44);1-2,5-17H,(H,42,43);2*1-2,5-17H,(H,40,41);1-2,5-17H,(H,40,41);1-2,5-11,19-22H,12-13H2,(H,30,31)
• InChIKey: FTZALNTWQPANPL-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 1015.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 51
• Rotatable Bonds: 32
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4151.69
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid?

The IUPAC name of heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid (CID 158141321) is heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid.

What is the SMILES notation for heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid?

The canonical SMILES for heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid is C#Cc1cc(C(=O)O)cc(N2CC3C(C2)C2C(=O)N(c4cccc(C#C)c4)C(=O)C32)c1.C#Cc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(C)(C)c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)C(F)(F)F)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(Sc4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)cc3C2=O)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid?

The InChIKey is FTZALNTWQPANPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19F3N2O6.C36H22N2O6.C34H16N2O7.C33H16N2O7.C33H16N2O6S.C33H16N2O6.C25H18N2O4.7CO2/c1-4-19-7-6-8-24(14-19)40-30(42)26-11-9-22(17-28(26)32(40)44)35(3,36(37,38)39)23-10-12-27-29(18-23)33(45)41(31(27)43)25-15-20(5-2)13-21(16-25)34(46)47;1-5-20-8-7-9-25(15-20)37-31(39)27-12-10-23(18-29(27)33(37)41)36(3,4)24-11-13-28-30(19-24)34(42)38(32(28)40)26-16-21(6-2)14-22(17-26)35(43)44;1-3-18-6-5-7-23(13-18)35-30(38)25-10-8-20(16-27(25)32(35)40)29(37)21-9-11-26-28(17-21)33(41)36(31(26)39)24-14-19(4-2)12-22(15-24)34(42)43;2*1-3-18-6-5-7-21(13-18)34-29(36)25-10-8-23(16-27(25)31(34)38)42-24-9-11-26-28(17-24)32(39)35(30(26)37)22-14-19(4-2)12-20(15-22)33(40)41;1-3-18-6-5-7-23(13-18)34-29(36)25-10-8-20(16-27(25)31(34)38)21-9-11-26-28(17-21)32(39)35(30(26)37)24-14-19(4-2)12-22(15-24)33(40)41;1-3-14-6-5-7-17(9-14)27-23(28)21-19-12-26(13-20(19)22(21)24(27)29)18-10-15(4-2)8-16(11-18)25(30)31;7*2-1-3/h1-2,6-18H,3H3,(H,46,47);1-2,7-19H,3-4H3,(H,43,44);1-2,5-17H,(H,42,43);2*1-2,5-17H,(H,40,41);1-2,5-17H,(H,40,41);1-2,5-11,19-22H,12-13H2,(H,30,31);;;;;;;.

What are the key properties of heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid?

heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid has a molecular weight of 4151.69 g/mol, XLogP of 27.86, 32 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis(carbon dioxide);3-ethynyl-5-[9-(3-ethynylphenyl)-8,10-dioxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]sulfanyl-1,3-dioxoisoindol-2-yl]benzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid is sourced from PubChem (CID 158141321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).