About hexakis(carbon dioxide);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
hexakis(carbon dioxide);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 162195562) has the molecular formula C211H105F3N12O50S
and a molecular weight of 3697.26 g/mol. Its IUPAC name is hexakis(carbon dioxide);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.
Frequently Asked Questions
What is the IUPAC name of hexakis(carbon dioxide);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 hexakis(carbon dioxide);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 162195562) is hexakis(carbon dioxide);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 hexakis(carbon dioxide);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 hexakis(carbon dioxide);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#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.
What is the InChIKey of hexakis(carbon dioxide);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 ZQWSIUAMVQVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19F3N2O6.C36H22N2O6.C34H16N2O7.C33H16N2O7.C33H16N2O6S.C33H16N2O6.6CO2/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;6*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);;;;;;.
What are the key properties of hexakis(carbon dioxide);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?
hexakis(carbon dioxide);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 3697.26 g/mol, XLogP of 26.23, 29 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);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 162195562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).