octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid

C283H248F24N16O61S5 — CID 165102708

About octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid

octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid (PubChem CID 165102708) has the molecular formula C283H248F24N16O61S5 and a molecular weight of 5465.44 g/mol. Its IUPAC name is octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

• Compound Name: octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid
• PubChem CID: 165102708
• Molecular Formula: C283H248F24N16O61S5
• Molecular Weight: 5465.44 g/mol
• Exact Mass: 5461.50
• IUPAC Name: octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid
• SMILES: CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4c(C)cc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4cc(C)c(C)cc4C)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)c(C)c4C)C(F)(F)F)c(C)c3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3c(C)cc(C(c4cc(C)c(C)c(C)c4)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4c(C)cc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)c(C)c4)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)cc4)C(F)(F)F)cc3)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/3C36H33F3N2O5.2C35H33F3N2O6S.2C33H29F3N2O6S.C31H25F3N2O6S.8CO2/c1-18-10-12-26(20(3)19(18)2)31(36(37,38)39)27-14-15-30(22(5)21(27)4)41-34(44)29-17-24(11-13-28(29)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-20(3)27(13-19(18)2)31(36(37,38)39)28-14-22(5)30(15-21(28)4)41-34(44)29-17-24(10-11-26(29)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-19(2)29(20(3)13-18)31(36(37,38)39)30-21(4)14-26(15-22(30)5)41-34(44)28-17-24(10-11-27(28)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-24(13-19(2)22(18)5)30(35(36,37)38)25-14-20(3)31(21(4)15-25)40-33(42)29-17-27(10-11-28(29)34(43)44)47(45,46)26-9-7-8-23(16-26)32(41)39-6;1-18-12-19(2)29(20(3)13-18)31(35(36,37)38)30-21(4)14-24(15-22(30)5)40-33(42)28-17-26(10-11-27(28)34(43)44)47(45,46)25-9-7-8-23(16-25)32(41)39-6;1-18-8-11-25(19(2)14-18)29(33(34,35)36)26-12-9-22(15-20(26)3)38-31(40)28-17-24(10-13-27(28)32(41)42)45(43,44)23-7-5-6-21(16-23)30(39)37-4;1-18-8-9-21(14-19(18)2)29(33(34,35)36)22-10-13-28(20(3)15-22)38-31(40)27-17-25(11-12-26(27)32(41)42)45(43,44)24-7-5-6-23(16-24)30(39)37-4;1-18-6-8-19(9-7-18)27(31(32,33)34)20-10-12-22(13-11-20)36-29(38)26-17-24(14-15-25(26)30(39)40)43(41,42)23-5-3-4-21(16-23)28(37)35-2;8*2-1-3/h3*7-17,31H,1-6H3,(H,40,43)(H,41,44)(H,45,46);7-17,30H,1-6H3,(H,39,41)(H,40,42)(H,43,44);7-17,31H,1-6H3,(H,39,41)(H,40,42)(H,43,44);2*5-17,29H,1-4H3,(H,37,39)(H,38,40)(H,41,42);3-17,27H,1-2H3,(H,35,37)(H,36,38)(H,39,40)
• InChIKey: YPLLYIFHLWDSNK-UHFFFAOYSA-N
• XLogP: 50.59
• TPSA: 1259.03 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 53
• Rotatable Bonds: 64
• Heavy Atoms: 389
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5465.44
LogP ≤ 5	50.59
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid?

The IUPAC name of octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid (CID 165102708) is octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid.

What is the SMILES notation for octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid?

The canonical SMILES for octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid is CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4c(C)cc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4cc(C)c(C)cc4C)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)c(C)c4C)C(F)(F)F)c(C)c3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3c(C)cc(C(c4cc(C)c(C)c(C)c4)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3cc(C)c(C(c4c(C)cc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)c(C)c4)C(F)(F)F)cc3C)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)cc4)C(F)(F)F)cc3)c2)c1.CNC(=O)c1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)Nc3ccc(C(c4ccc(C)cc4C)C(F)(F)F)c(C)c3)c2)c1.O=C=O.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 octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid?

The InChIKey is YPLLYIFHLWDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H33F3N2O5.2C35H33F3N2O6S.2C33H29F3N2O6S.C31H25F3N2O6S.8CO2/c1-18-10-12-26(20(3)19(18)2)31(36(37,38)39)27-14-15-30(22(5)21(27)4)41-34(44)29-17-24(11-13-28(29)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-20(3)27(13-19(18)2)31(36(37,38)39)28-14-22(5)30(15-21(28)4)41-34(44)29-17-24(10-11-26(29)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-19(2)29(20(3)13-18)31(36(37,38)39)30-21(4)14-26(15-22(30)5)41-34(44)28-17-24(10-11-27(28)35(45)46)32(42)23-8-7-9-25(16-23)33(43)40-6;1-18-12-24(13-19(2)22(18)5)30(35(36,37)38)25-14-20(3)31(21(4)15-25)40-33(42)29-17-27(10-11-28(29)34(43)44)47(45,46)26-9-7-8-23(16-26)32(41)39-6;1-18-12-19(2)29(20(3)13-18)31(35(36,37)38)30-21(4)14-24(15-22(30)5)40-33(42)28-17-26(10-11-27(28)34(43)44)47(45,46)25-9-7-8-23(16-25)32(41)39-6;1-18-8-11-25(19(2)14-18)29(33(34,35)36)26-12-9-22(15-20(26)3)38-31(40)28-17-24(10-13-27(28)32(41)42)45(43,44)23-7-5-6-21(16-23)30(39)37-4;1-18-8-9-21(14-19(18)2)29(33(34,35)36)22-10-13-28(20(3)15-22)38-31(40)27-17-25(11-12-26(27)32(41)42)45(43,44)24-7-5-6-23(16-24)30(39)37-4;1-18-6-8-19(9-7-18)27(31(32,33)34)20-10-12-22(13-11-20)36-29(38)26-17-24(14-15-25(26)30(39)40)43(41,42)23-5-3-4-21(16-23)28(37)35-2;8*2-1-3/h3*7-17,31H,1-6H3,(H,40,43)(H,41,44)(H,45,46);7-17,30H,1-6H3,(H,39,41)(H,40,42)(H,43,44);7-17,31H,1-6H3,(H,39,41)(H,40,42)(H,43,44);2*5-17,29H,1-4H3,(H,37,39)(H,38,40)(H,41,42);3-17,27H,1-2H3,(H,35,37)(H,36,38)(H,39,40);;;;;;;;.

What are the key properties of octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid?

octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 5465.44 g/mol, XLogP of 50.59, 64 rotatable bonds, 24 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(carbon dioxide);2-[[4-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethyl]-3-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[4-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethyl]-2-methylphenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[2,3-dimethyl-4-[2,2,2-trifluoro-1-(2,3,4-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)benzoyl]benzoic acid;2-[[2,6-dimethyl-4-[2,2,2-trifluoro-1-(3,4,5-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;2-[[3,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]phenyl]carbamoyl]-4-[3-(methylcarbamoyl)phenyl]sulfonylbenzoic acid;4-[3-(methylcarbamoyl)phenyl]sulfonyl-2-[[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 165102708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).