2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide

C176H173I2N15O20S12 — CID 159273415

About 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide

2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide (PubChem CID 159273415) has the molecular formula C176H173I2N15O20S12 and a molecular weight of 3457.02 g/mol. Its IUPAC name is 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide.

Molecular Properties

• Compound Name: 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide
• PubChem CID: 159273415
• Molecular Formula: C176H173I2N15O20S12
• Molecular Weight: 3457.02 g/mol
• Exact Mass: 3453.77
• IUPAC Name: 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide
• SMILES: CC1(C)C(/C=C/c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)=[N+](CCOC=O)c2ccccc21.CCN1C(=O)/C(=c2\s/c(=C/c3ccc4c(c3)CC(C)N4CC)c(=O)n2CC(=O)O)SC1=S.CCN1c2ccc(/C=C/c3sc4ccccc4[n+]3CCC(=O)O)cc2C2CCCC21.CCN1c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2CC1C.CCOC(=O)Cn1c(=O)/c(=C\c2ccc3c(c2)C2CCCC2N3Cc2ccccc2)s/c1=C1/SC(=S)N(CC)C1=O.O=C(O)Cn1c(=O)/c(=C\c2ccc3c(c2)C2CCCC2N3c2ccc(CO)cc2)s/c1=C1/SC(=S)N(Cc2ccccc2)C1=O.[I-].[I-]
• InChI: InChI=1S/C46H43N2O2.C34H29N3O5S3.C31H31N3O4S3.C25H26N2O2S.C22H23N3O4S3.C18H20N2O3S2.2HI/c1-46(2)41-17-9-10-18-44(41)47(28-29-50-32-49)45(46)27-23-34-22-26-43-40(31-34)38-16-11-19-42(38)48(43)37-24-20-33(21-25-37)30-39(35-12-5-3-6-13-35)36-14-7-4-8-15-36;38-19-21-9-12-23(13-10-21)37-26-8-4-7-24(26)25-15-22(11-14-27(25)37)16-28-31(41)35(18-29(39)40)33(44-28)30-32(42)36(34(43)45-30)17-20-5-2-1-3-6-20;1-3-32-29(37)27(41-31(32)39)30-34(18-26(35)38-4-2)28(36)25(40-30)16-20-13-14-24-22(15-20)21-11-8-12-23(21)33(24)17-19-9-6-5-7-10-19;1-2-26-20-8-5-6-18(20)19-16-17(10-12-21(19)26)11-13-24-27(15-14-25(28)29)22-7-3-4-9-23(22)30-24;1-4-23-12(3)8-14-9-13(6-7-15(14)23)10-16-19(28)25(11-17(26)27)21(31-16)18-20(29)24(5-2)22(30)32-18;1-3-19-11(2)8-13-9-12(4-5-14(13)19)10-15-17(23)20(18(24)25-15)7-6-16(21)22;;/h3-10,12-15,17-18,20-27,30-32,38,42H,11,16,19,28-29H2,1-2H3;1-3,5-6,9-16,24,26,38H,4,7-8,17-19H2,(H,39,40);5-7,9-10,13-16,21,23H,3-4,8,11-12,17-18H2,1-2H3;3-4,7,9-13,16,18,20H,2,5-6,8,14-15H2,1H3;6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,26,27);4-5,9-11H,3,6-8H2,1-2H3,(H,21,22);2*1H/q+1;;;;;;;/p-1/b;28-16+,33-30+;25-16+,30-27+;;16-10+,21-18+;15-10+
• InChIKey: POVSHJJPBJKJPQ-ALVLQYLMSA-M
• XLogP: 22.58
• TPSA: 395.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3457.02
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide?

The IUPAC name of 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide (CID 159273415) is 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide.

What is the SMILES notation for 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide?

The canonical SMILES for 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide is CC1(C)C(/C=C/c2ccc3c(c2)C2CCCC2N3c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)=[N+](CCOC=O)c2ccccc21.CCN1C(=O)/C(=c2\s/c(=C/c3ccc4c(c3)CC(C)N4CC)c(=O)n2CC(=O)O)SC1=S.CCN1c2ccc(/C=C/c3sc4ccccc4[n+]3CCC(=O)O)cc2C2CCCC21.CCN1c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2CC1C.CCOC(=O)Cn1c(=O)/c(=C\c2ccc3c(c2)C2CCCC2N3Cc2ccccc2)s/c1=C1/SC(=S)N(CC)C1=O.O=C(O)Cn1c(=O)/c(=C\c2ccc3c(c2)C2CCCC2N3c2ccc(CO)cc2)s/c1=C1/SC(=S)N(Cc2ccccc2)C1=O.[I-].[I-].

What is the InChIKey of 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide?

The InChIKey is POVSHJJPBJKJPQ-ALVLQYLMSA-M. The full InChI is InChI=1S/C46H43N2O2.C34H29N3O5S3.C31H31N3O4S3.C25H26N2O2S.C22H23N3O4S3.C18H20N2O3S2.2HI/c1-46(2)41-17-9-10-18-44(41)47(28-29-50-32-49)45(46)27-23-34-22-26-43-40(31-34)38-16-11-19-42(38)48(43)37-24-20-33(21-25-37)30-39(35-12-5-3-6-13-35)36-14-7-4-8-15-36;38-19-21-9-12-23(13-10-21)37-26-8-4-7-24(26)25-15-22(11-14-27(25)37)16-28-31(41)35(18-29(39)40)33(44-28)30-32(42)36(34(43)45-30)17-20-5-2-1-3-6-20;1-3-32-29(37)27(41-31(32)39)30-34(18-26(35)38-4-2)28(36)25(40-30)16-20-13-14-24-22(15-20)21-11-8-12-23(21)33(24)17-19-9-6-5-7-10-19;1-2-26-20-8-5-6-18(20)19-16-17(10-12-21(19)26)11-13-24-27(15-14-25(28)29)22-7-3-4-9-23(22)30-24;1-4-23-12(3)8-14-9-13(6-7-15(14)23)10-16-19(28)25(11-17(26)27)21(31-16)18-20(29)24(5-2)22(30)32-18;1-3-19-11(2)8-13-9-12(4-5-14(13)19)10-15-17(23)20(18(24)25-15)7-6-16(21)22;;/h3-10,12-15,17-18,20-27,30-32,38,42H,11,16,19,28-29H2,1-2H3;1-3,5-6,9-16,24,26,38H,4,7-8,17-19H2,(H,39,40);5-7,9-10,13-16,21,23H,3-4,8,11-12,17-18H2,1-2H3;3-4,7,9-13,16,18,20H,2,5-6,8,14-15H2,1H3;6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,26,27);4-5,9-11H,3,6-8H2,1-2H3,(H,21,22);2*1H/q+1;;;;;;;/p-1/b;28-16+,33-30+;25-16+,30-27+;;16-10+,21-18+;15-10+;;.

What are the key properties of 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide?

2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide has a molecular weight of 3457.02 g/mol, XLogP of 22.58, 40 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,5E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-[[4-[4-(hydroxymethyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid;2-[2-[(E)-2-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]ethyl formate;3-[2-[(E)-2-(4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoic acid;ethyl 2-[(2E,5E)-5-[(4-benzyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate;2-[(2E,5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid;3-[(5E)-5-[(1-ethyl-2-methyl-2,3-dihydroindol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;diiodide is sourced from PubChem (CID 159273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).