hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid

C388H248F18N26O93 — CID 160612965

IUPAChexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid
SMILESCCC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(CC(=O)c4cc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(-c4ccc(NC(=O)c5cc(C(C)(c6ccc7c(c6)C(=O)N(c6ccc(-c8ccc(N9C(=O)c%10ccc(C(C)(c%11ccc%12c(c%11)C(=O)N(C)C%12=O)C(F)(F)F)cc%10C9=O)cc8)cc6)C7=O)C(F)(F)F)ccc5C(=O)O)cc4)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(NC(=O)c4cc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(C(C)(c9ccc%10c(c9)C(=O)N(C)C%10=O)C(F)(F)F)cc8C7=O)cc5)C6=O)C(F)(F)F)ccc4C(=O)O)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(Oc2cccc(C(=O)Cc3ccc(NC(=O)c4cc(Oc5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(-c3ccc(CC(=O)c4cc5c(cc4C(=O)O)C(=O)N(c4ccc(-c6ccc(-n7c(=O)c8cc9c(=O)n(C)c(=O)c9cc8c7=O)cc6)cc4)C5=O)cc3)cc2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(CC(=O)c3cc4c(cc3C(=O)O)C(=O)N(c3ccc(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7cc6c5=O)cc3)C4=O)cc2)ccc1C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C84H57F9N4O13.C72H49F9N4O13.C63H40N4O16.C63H40N4O13.C56H35N5O13.C44H27N5O13.6CO2/c1-6-68(98)63-38-50(23-34-61(63)77(107)108)79(2,82(85,86)87)49-9-7-8-48(37-49)69(99)36-43-10-12-44(13-11-43)45-14-25-55(26-15-45)94-70(100)64-39-51(24-35-62(64)78(109)110)80(3,83(88,89)90)53-21-32-59-66(41-53)75(105)96(73(59)103)56-27-16-46(17-28-56)47-18-29-57(30-19-47)97-74(104)60-33-22-54(42-67(60)76(97)106)81(4,84(91,92)93)52-20-31-58-65(40-52)72(102)95(5)71(58)101;1-6-56(86)51-30-38(15-26-49(51)65(95)96)67(2,70(73,74)75)37-9-7-8-36(29-37)57(87)28-35-10-17-43(18-11-35)82-58(88)52-31-39(16-27-50(52)66(97)98)68(3,71(76,77)78)41-13-24-47-54(33-41)63(93)84(61(47)91)44-19-21-45(22-20-44)85-62(92)48-25-14-42(34-55(48)64(85)94)69(4,72(79,80)81)40-12-23-46-53(32-40)60(90)83(5)59(46)89;1-3-53(68)48-27-38(18-23-46(48)62(77)78)81-37-6-4-5-33(26-37)54(69)25-32-7-9-34(10-8-32)64-55(70)49-28-39(19-24-47(49)63(79)80)82-41-16-21-44-51(30-41)60(75)66(58(44)73)35-11-13-36(14-12-35)67-59(74)45-22-17-42(31-52(45)61(67)76)83-40-15-20-43-50(29-40)57(72)65(2)56(43)71;1-3-53(68)48-27-34(12-23-46(48)62(77)78)33-5-4-6-39(26-33)55(70)64-40-14-7-32(8-15-40)25-54(69)49-28-35(13-24-47(49)63(79)80)37-10-21-44-51(30-37)60(75)66(58(44)73)41-16-18-42(19-17-41)67-59(74)45-22-11-38(31-52(45)61(67)76)36-9-20-43-50(29-36)57(72)65(2)56(43)71;1-57-48(64)38-22-32(13-20-36(38)55(71)72)47(63)58-33-14-7-29(8-15-33)28-5-3-27(4-6-28)21-46(62)37-23-41-44(26-45(37)56(73)74)54(70)60(51(41)67)34-16-9-30(10-17-34)31-11-18-35(19-12-31)61-52(68)42-24-39-40(25-43(42)53(61)69)50(66)59(2)49(39)65;1-45-36(52)26-14-20(5-12-24(26)43(59)60)35(51)46-21-6-3-19(4-7-21)13-34(50)25-15-29-32(18-33(25)44(61)62)42(58)48(39(29)55)22-8-10-23(11-9-22)49-40(56)30-16-27-28(17-31(30)41(49)57)38(54)47(2)37(27)53;6*2-1-3/h7-35,37-42H,6,36H2,1-5H3,(H,94,100)(H,107,108)(H,109,110);7-27,29-34H,6,28H2,1-5H3,(H,82,88)(H,95,96)(H,97,98);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);3-20,22-26H,21H2,1-2H3,(H,57,64)(H,58,63)(H,71,72)(H,73,74);3-12,14-18H,13H2,1-2H3,(H,45,52)(H,46,51)(H,59,60)(H,61,62);;;;;;
InChIKeyRFSIWOCJYTUHCI-UHFFFAOYSA-N
MW7104.31 g/mol
LogP56.82
Rot. Bonds89

About hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid

hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid (PubChem CID 160612965) has the molecular formula C388H248F18N26O93 and a molecular weight of 7104.31 g/mol. Its IUPAC name is hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid.

Molecular Properties

Compound Namehexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid
PubChem CID160612965
Molecular FormulaC388H248F18N26O93
Molecular Weight7104.31 g/mol
Exact Mass7099.52
IUPAC Namehexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid
SMILESCCC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(CC(=O)c4cc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(-c4ccc(NC(=O)c5cc(C(C)(c6ccc7c(c6)C(=O)N(c6ccc(-c8ccc(N9C(=O)c%10ccc(C(C)(c%11ccc%12c(c%11)C(=O)N(C)C%12=O)C(F)(F)F)cc%10C9=O)cc8)cc6)C7=O)C(F)(F)F)ccc5C(=O)O)cc4)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(NC(=O)c4cc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(C(C)(c9ccc%10c(c9)C(=O)N(C)C%10=O)C(F)(F)F)cc8C7=O)cc5)C6=O)C(F)(F)F)ccc4C(=O)O)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(Oc2cccc(C(=O)Cc3ccc(NC(=O)c4cc(Oc5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(-c3ccc(CC(=O)c4cc5c(cc4C(=O)O)C(=O)N(c4ccc(-c6ccc(-n7c(=O)c8cc9c(=O)n(C)c(=O)c9cc8c7=O)cc6)cc4)C5=O)cc3)cc2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(CC(=O)c3cc4c(cc3C(=O)O)C(=O)N(c3ccc(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7cc6c5=O)cc3)C4=O)cc2)ccc1C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C84H57F9N4O13.C72H49F9N4O13.C63H40N4O16.C63H40N4O13.C56H35N5O13.C44H27N5O13.6CO2/c1-6-68(98)63-38-50(23-34-61(63)77(107)108)79(2,82(85,86)87)49-9-7-8-48(37-49)69(99)36-43-10-12-44(13-11-43)45-14-25-55(26-15-45)94-70(100)64-39-51(24-35-62(64)78(109)110)80(3,83(88,89)90)53-21-32-59-66(41-53)75(105)96(73(59)103)56-27-16-46(17-28-56)47-18-29-57(30-19-47)97-74(104)60-33-22-54(42-67(60)76(97)106)81(4,84(91,92)93)52-20-31-58-65(40-52)72(102)95(5)71(58)101;1-6-56(86)51-30-38(15-26-49(51)65(95)96)67(2,70(73,74)75)37-9-7-8-36(29-37)57(87)28-35-10-17-43(18-11-35)82-58(88)52-31-39(16-27-50(52)66(97)98)68(3,71(76,77)78)41-13-24-47-54(33-41)63(93)84(61(47)91)44-19-21-45(22-20-44)85-62(92)48-25-14-42(34-55(48)64(85)94)69(4,72(79,80)81)40-12-23-46-53(32-40)60(90)83(5)59(46)89;1-3-53(68)48-27-38(18-23-46(48)62(77)78)81-37-6-4-5-33(26-37)54(69)25-32-7-9-34(10-8-32)64-55(70)49-28-39(19-24-47(49)63(79)80)82-41-16-21-44-51(30-41)60(75)66(58(44)73)35-11-13-36(14-12-35)67-59(74)45-22-17-42(31-52(45)61(67)76)83-40-15-20-43-50(29-40)57(72)65(2)56(43)71;1-3-53(68)48-27-34(12-23-46(48)62(77)78)33-5-4-6-39(26-33)55(70)64-40-14-7-32(8-15-40)25-54(69)49-28-35(13-24-47(49)63(79)80)37-10-21-44-51(30-37)60(75)66(58(44)73)41-16-18-42(19-17-41)67-59(74)45-22-11-38(31-52(45)61(67)76)36-9-20-43-50(29-36)57(72)65(2)56(43)71;1-57-48(64)38-22-32(13-20-36(38)55(71)72)47(63)58-33-14-7-29(8-15-33)28-5-3-27(4-6-28)21-46(62)37-23-41-44(26-45(37)56(73)74)54(70)60(51(41)67)34-16-9-30(10-17-34)31-11-18-35(19-12-31)61-52(68)42-24-39-40(25-43(42)53(61)69)50(66)59(2)49(39)65;1-45-36(52)26-14-20(5-12-24(26)43(59)60)35(51)46-21-6-3-19(4-7-21)13-34(50)25-15-29-32(18-33(25)44(61)62)42(58)48(39(29)55)22-8-10-23(11-9-22)49-40(56)30-16-27-28(17-31(30)41(49)57)38(54)47(2)37(27)53;6*2-1-3/h7-35,37-42H,6,36H2,1-5H3,(H,94,100)(H,107,108)(H,109,110);7-27,29-34H,6,28H2,1-5H3,(H,82,88)(H,95,96)(H,97,98);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);3-20,22-26H,21H2,1-2H3,(H,57,64)(H,58,63)(H,71,72)(H,73,74);3-12,14-18H,13H2,1-2H3,(H,45,52)(H,46,51)(H,59,60)(H,61,62);;;;;;
InChIKeyRFSIWOCJYTUHCI-UHFFFAOYSA-N
XLogP56.82
TPSA1763.23 Ų
H-Bond Donors20
H-Bond Acceptors85
Rotatable Bonds89
Heavy Atoms525
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007104.31
LogP ≤ 556.82
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1085

Analyze hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid?
The IUPAC name of hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid (CID 160612965) is hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid.
What is the SMILES notation for hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid?
The canonical SMILES for hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid is CCC(=O)c1cc(-c2cccc(C(=O)Nc3ccc(CC(=O)c4cc(-c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(-c4ccc(NC(=O)c5cc(C(C)(c6ccc7c(c6)C(=O)N(c6ccc(-c8ccc(N9C(=O)c%10ccc(C(C)(c%11ccc%12c(c%11)C(=O)N(C)C%12=O)C(F)(F)F)cc%10C9=O)cc8)cc6)C7=O)C(F)(F)F)ccc5C(=O)O)cc4)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(C(C)(c2cccc(C(=O)Cc3ccc(NC(=O)c4cc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(C(C)(c9ccc%10c(c9)C(=O)N(C)C%10=O)C(F)(F)F)cc8C7=O)cc5)C6=O)C(F)(F)F)ccc4C(=O)O)cc3)c2)C(F)(F)F)ccc1C(=O)O.CCC(=O)c1cc(Oc2cccc(C(=O)Cc3ccc(NC(=O)c4cc(Oc5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)cc5)C6=O)ccc4C(=O)O)cc3)c2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(-c3ccc(CC(=O)c4cc5c(cc4C(=O)O)C(=O)N(c4ccc(-c6ccc(-n7c(=O)c8cc9c(=O)n(C)c(=O)c9cc8c7=O)cc6)cc4)C5=O)cc3)cc2)ccc1C(=O)O.CNC(=O)c1cc(C(=O)Nc2ccc(CC(=O)c3cc4c(cc3C(=O)O)C(=O)N(c3ccc(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7cc6c5=O)cc3)C4=O)cc2)ccc1C(=O)O.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);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid?
The InChIKey is RFSIWOCJYTUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57F9N4O13.C72H49F9N4O13.C63H40N4O16.C63H40N4O13.C56H35N5O13.C44H27N5O13.6CO2/c1-6-68(98)63-38-50(23-34-61(63)77(107)108)79(2,82(85,86)87)49-9-7-8-48(37-49)69(99)36-43-10-12-44(13-11-43)45-14-25-55(26-15-45)94-70(100)64-39-51(24-35-62(64)78(109)110)80(3,83(88,89)90)53-21-32-59-66(41-53)75(105)96(73(59)103)56-27-16-46(17-28-56)47-18-29-57(30-19-47)97-74(104)60-33-22-54(42-67(60)76(97)106)81(4,84(91,92)93)52-20-31-58-65(40-52)72(102)95(5)71(58)101;1-6-56(86)51-30-38(15-26-49(51)65(95)96)67(2,70(73,74)75)37-9-7-8-36(29-37)57(87)28-35-10-17-43(18-11-35)82-58(88)52-31-39(16-27-50(52)66(97)98)68(3,71(76,77)78)41-13-24-47-54(33-41)63(93)84(61(47)91)44-19-21-45(22-20-44)85-62(92)48-25-14-42(34-55(48)64(85)94)69(4,72(79,80)81)40-12-23-46-53(32-40)60(90)83(5)59(46)89;1-3-53(68)48-27-38(18-23-46(48)62(77)78)81-37-6-4-5-33(26-37)54(69)25-32-7-9-34(10-8-32)64-55(70)49-28-39(19-24-47(49)63(79)80)82-41-16-21-44-51(30-41)60(75)66(58(44)73)35-11-13-36(14-12-35)67-59(74)45-22-17-42(31-52(45)61(67)76)83-40-15-20-43-50(29-40)57(72)65(2)56(43)71;1-3-53(68)48-27-34(12-23-46(48)62(77)78)33-5-4-6-39(26-33)55(70)64-40-14-7-32(8-15-40)25-54(69)49-28-35(13-24-47(49)63(79)80)37-10-21-44-51(30-37)60(75)66(58(44)73)41-16-18-42(19-17-41)67-59(74)45-22-11-38(31-52(45)61(67)76)36-9-20-43-50(29-36)57(72)65(2)56(43)71;1-57-48(64)38-22-32(13-20-36(38)55(71)72)47(63)58-33-14-7-29(8-15-33)28-5-3-27(4-6-28)21-46(62)37-23-41-44(26-45(37)56(73)74)54(70)60(51(41)67)34-16-9-30(10-17-34)31-11-18-35(19-12-31)61-52(68)42-24-39-40(25-43(42)53(61)69)50(66)59(2)49(39)65;1-45-36(52)26-14-20(5-12-24(26)43(59)60)35(51)46-21-6-3-19(4-7-21)13-34(50)25-15-29-32(18-33(25)44(61)62)42(58)48(39(29)55)22-8-10-23(11-9-22)49-40(56)30-16-27-28(17-31(30)41(49)57)38(54)47(2)37(27)53;6*2-1-3/h7-35,37-42H,6,36H2,1-5H3,(H,94,100)(H,107,108)(H,109,110);7-27,29-34H,6,28H2,1-5H3,(H,82,88)(H,95,96)(H,97,98);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);4-24,26-31H,3,25H2,1-2H3,(H,64,70)(H,77,78)(H,79,80);3-20,22-26H,21H2,1-2H3,(H,57,64)(H,58,63)(H,71,72)(H,73,74);3-12,14-18H,13H2,1-2H3,(H,45,52)(H,46,51)(H,59,60)(H,61,62);;;;;;.
What are the key properties of hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid?
hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid has a molecular weight of 7104.31 g/mol, XLogP of 56.82, 89 rotatable bonds, 20 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);6-[2-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]acetyl]-2-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid;6-[2-[4-[4-[[4-carboxy-3-(methylcarbamoyl)benzoyl]amino]phenyl]phenyl]acetyl]-2-[4-[4-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid;4-[3-[[4-[2-[2-carboxy-5-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]phenyl]-2-propanoylbenzoic acid;2-[[4-[2-[3-(4-carboxy-3-propanoylphenoxy)phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxybenzoic acid;2-[[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]carbamoyl]-4-[2-[2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid;2-[[4-[4-[2-[3-[2-(4-carboxy-3-propanoylphenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-4-[2-[2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]benzoic acid is sourced from PubChem (CID 160612965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).