(2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid

C381H314N8O40S8 — CID 157066947

About (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid

(2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid (PubChem CID 157066947) has the molecular formula C381H314N8O40S8 and a molecular weight of 5901.26 g/mol. Its IUPAC name is (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid.

Molecular Properties

• Compound Name: (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid
• PubChem CID: 157066947
• Molecular Formula: C381H314N8O40S8
• Molecular Weight: 5901.26 g/mol
• Exact Mass: 5896.05
• IUPAC Name: (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid
• SMILES: CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(/C=C/C=C6C(=O)c7cc(C(=O)O)c(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)ccc21.CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(/C=C6/C(=O)c7cccc(C(=O)O)c7C6=O)s5)cc4C4CCCC43)ccc21.CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(C=C6C(=O)c7cc(C(=O)O)c(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)ccc21.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C/C=C1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)-c2ccccc2C3(C)C)sc1/C=C/C=C1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)-c2ccccc2C3(C)C)sc1/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O
• InChI: InChI=1S/C51H47NO6S.C50H37NO6S.C49H45NO6S.C49H37NO4S.C48H45NO4S.C47H35NO4S.C45H35NO6S.C42H33NO4S/c1-4-6-22-51(23-7-5-2)41-15-9-8-12-32(41)35-26-31(19-20-42(35)51)52-43-16-10-13-33(43)36-25-30(18-21-44(36)52)46-24-29(3)45(59-46)17-11-14-34-47(53)37-27-39(49(55)56)40(50(57)58)28-38(37)48(34)54;1-29-24-46(58-45(29)17-9-15-36-47(52)39-27-41(49(54)55)42(50(56)57)28-40(39)48(36)53)33-20-23-44-38(26-33)35-14-8-16-43(35)51(44)34-21-18-30(19-22-34)25-37(31-10-4-2-5-11-31)32-12-6-3-7-13-32;1-4-6-19-49(20-7-5-2)39-13-9-8-11-30(39)32-23-29(16-17-40(32)49)50-41-14-10-12-31(41)33-22-28(15-18-42(33)50)44-21-27(3)43(57-44)26-38-45(51)34-24-36(47(53)54)37(48(55)56)25-35(34)46(38)52;1-30-27-45(55-44(30)20-10-18-39-47(51)37-16-8-17-38(49(53)54)46(37)48(39)52)34-23-26-43-41(29-34)36-15-9-19-42(36)50(43)35-24-21-31(22-25-35)28-40(32-11-4-2-5-12-32)33-13-6-3-7-14-33;1-4-6-22-48(23-7-5-2)38-16-9-8-12-31(38)35-26-30(19-20-39(35)48)49-40-17-11-13-32(40)36-25-29(18-21-41(36)49)43-24-28(3)42(54-43)27-37-45(50)33-14-10-15-34(47(52)53)44(33)46(37)51;1-28-24-43(53-42(28)27-39-45(49)35-15-8-16-36(47(51)52)44(35)46(39)50)32-20-23-41-38(26-32)34-14-9-17-40(34)48(41)33-21-18-29(19-22-33)25-37(30-10-4-2-5-11-30)31-12-6-3-7-13-31;1-23-18-40(53-39(23)13-7-10-28-41(47)31-21-33(43(49)50)34(44(51)52)22-32(31)42(28)48)24-14-17-38-30(19-24)27-9-6-12-37(27)46(38)25-15-16-36-29(20-25)26-8-4-5-11-35(26)45(36,2)3;1-22-18-37(48-36(22)21-31-39(44)27-10-6-11-28(41(46)47)38(27)40(31)45)23-14-17-35-30(19-23)26-9-7-13-34(26)43(35)24-15-16-33-29(20-24)25-8-4-5-12-32(25)42(33,2)3/h8-9,11-12,14-15,17-21,24-28,33,43H,4-7,10,13,16,22-23H2,1-3H3,(H,55,56)(H,57,58);2-7,9-13,15,17-28,35,43H,8,14,16H2,1H3,(H,54,55)(H,56,57);8-9,11,13,15-18,21-26,31,41H,4-7,10,12,14,19-20H2,1-3H3,(H,53,54)(H,55,56);2-8,10-14,16-18,20-29,36,42H,9,15,19H2,1H3,(H,53,54);8-10,12,14-16,18-21,24-27,32,40H,4-7,11,13,17,22-23H2,1-3H3,(H,52,53);2-8,10-13,15-16,18-27,34,40H,9,14,17H2,1H3,(H,51,52);4-5,7-8,10-11,13-22,27,37H,6,9,12H2,1-3H3,(H,49,50)(H,51,52);4-6,8,10-12,14-21,26,34H,7,9,13H2,1-3H3,(H,46,47)/b17-11+;17-9+;;20-10+,39-18-;37-27-;39-27-;13-7+;31-21-
• InChIKey: ABZGODNUXKBUGR-PQPJZUAMSA-N
• XLogP: 91.71
• TPSA: 746.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 67
• Heavy Atoms: 437
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5901.26
LogP ≤ 5	91.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid?

The IUPAC name of (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid (CID 157066947) is (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid.

What is the SMILES notation for (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid?

The canonical SMILES for (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid is CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(/C=C/C=C6C(=O)c7cc(C(=O)O)c(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)ccc21.CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(/C=C6/C(=O)c7cccc(C(=O)O)c7C6=O)s5)cc4C4CCCC43)ccc21.CCCCC1(CCCC)c2ccccc2-c2cc(N3c4ccc(-c5cc(C)c(C=C6C(=O)c7cc(C(=O)O)c(C(=O)O)cc7C6=O)s5)cc4C4CCCC43)ccc21.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C/C=C1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)sc1/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)-c2ccccc2C3(C)C)sc1/C=C/C=C1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.Cc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)-c2ccccc2C3(C)C)sc1/C=C1/C(=O)c2cccc(C(=O)O)c2C1=O.

What is the InChIKey of (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid?

The InChIKey is ABZGODNUXKBUGR-PQPJZUAMSA-N. The full InChI is InChI=1S/C51H47NO6S.C50H37NO6S.C49H45NO6S.C49H37NO4S.C48H45NO4S.C47H35NO4S.C45H35NO6S.C42H33NO4S/c1-4-6-22-51(23-7-5-2)41-15-9-8-12-32(41)35-26-31(19-20-42(35)51)52-43-16-10-13-33(43)36-25-30(18-21-44(36)52)46-24-29(3)45(59-46)17-11-14-34-47(53)37-27-39(49(55)56)40(50(57)58)28-38(37)48(34)54;1-29-24-46(58-45(29)17-9-15-36-47(52)39-27-41(49(54)55)42(50(56)57)28-40(39)48(36)53)33-20-23-44-38(26-33)35-14-8-16-43(35)51(44)34-21-18-30(19-22-34)25-37(31-10-4-2-5-11-31)32-12-6-3-7-13-32;1-4-6-19-49(20-7-5-2)39-13-9-8-11-30(39)32-23-29(16-17-40(32)49)50-41-14-10-12-31(41)33-22-28(15-18-42(33)50)44-21-27(3)43(57-44)26-38-45(51)34-24-36(47(53)54)37(48(55)56)25-35(34)46(38)52;1-30-27-45(55-44(30)20-10-18-39-47(51)37-16-8-17-38(49(53)54)46(37)48(39)52)34-23-26-43-41(29-34)36-15-9-19-42(36)50(43)35-24-21-31(22-25-35)28-40(32-11-4-2-5-12-32)33-13-6-3-7-14-33;1-4-6-22-48(23-7-5-2)38-16-9-8-12-31(38)35-26-30(19-20-39(35)48)49-40-17-11-13-32(40)36-25-29(18-21-41(36)49)43-24-28(3)42(54-43)27-37-45(50)33-14-10-15-34(47(52)53)44(33)46(37)51;1-28-24-43(53-42(28)27-39-45(49)35-15-8-16-36(47(51)52)44(35)46(39)50)32-20-23-41-38(26-32)34-14-9-17-40(34)48(41)33-21-18-29(19-22-33)25-37(30-10-4-2-5-11-30)31-12-6-3-7-13-31;1-23-18-40(53-39(23)13-7-10-28-41(47)31-21-33(43(49)50)34(44(51)52)22-32(31)42(28)48)24-14-17-38-30(19-24)27-9-6-12-37(27)46(38)25-15-16-36-29(20-25)26-8-4-5-11-35(26)45(36,2)3;1-22-18-37(48-36(22)21-31-39(44)27-10-6-11-28(41(46)47)38(27)40(31)45)23-14-17-35-30(19-23)26-9-7-13-34(26)43(35)24-15-16-33-29(20-24)25-8-4-5-12-32(25)42(33,2)3/h8-9,11-12,14-15,17-21,24-28,33,43H,4-7,10,13,16,22-23H2,1-3H3,(H,55,56)(H,57,58);2-7,9-13,15,17-28,35,43H,8,14,16H2,1H3,(H,54,55)(H,56,57);8-9,11,13,15-18,21-26,31,41H,4-7,10,12,14,19-20H2,1-3H3,(H,53,54)(H,55,56);2-8,10-14,16-18,20-29,36,42H,9,15,19H2,1H3,(H,53,54);8-10,12,14-16,18-21,24-27,32,40H,4-7,11,13,17,22-23H2,1-3H3,(H,52,53);2-8,10-13,15-16,18-27,34,40H,9,14,17H2,1H3,(H,51,52);4-5,7-8,10-11,13-22,27,37H,6,9,12H2,1-3H3,(H,49,50)(H,51,52);4-6,8,10-12,14-21,26,34H,7,9,13H2,1-3H3,(H,46,47)/b17-11+;17-9+;;20-10+,39-18-;37-27-;39-27-;13-7+;31-21-.

What are the key properties of (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid?

(2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid has a molecular weight of 5901.26 g/mol, XLogP of 91.71, 67 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;2-[(E)-3-[5-[4-(9,9-dibutylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-(9,9-dimethylfluoren-3-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid;(2Z)-2-[[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]methylidene]-1,3-dioxoindene-4-carboxylic acid;(2Z)-2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-4-carboxylic acid;2-[(E)-3-[5-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]-3-methylthiophen-2-yl]prop-2-enylidene]-1,3-dioxoindene-5,6-dicarboxylic acid is sourced from PubChem (CID 157066947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).