3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)

C139H97Cl16F2N17O28S16 — CID 158977465

About 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)

3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide) (PubChem CID 158977465) has the molecular formula C139H97Cl16F2N17O28S16 and a molecular weight of 3571.71 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide).

Molecular Properties

• Compound Name: 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)
• PubChem CID: 158977465
• Molecular Formula: C139H97Cl16F2N17O28S16
• Molecular Weight: 3571.71 g/mol
• Exact Mass: 3560.72
• IUPAC Name: 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)
• SMILES: O=C(NCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(S(=O)(=O)O)sc1-2)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccsc1-2.O=S(=O)(O)c1cc2c(s1)-c1c(c(/C(F)=C/CCC/C=C(\F)c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)cn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)(O)c1cc2c(s1)-c1c(c(/C=C/CCC/C=C/c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(O)CCCCCC(O)c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C36H23Cl4F2N3O3S3.C35H28Cl4N4O5S3.C35H24Cl4N4O3S3.C33H22Cl4N6O5S3.4O3S/c37-20-6-8-29(25(39)15-20)44-17-24(22-13-19-14-31(51(46,47)48)50-36(19)33(22)44)27(41)4-2-1-3-5-28(42)32-23-12-18-10-11-49-35(18)34(23)45(43-32)30-9-7-21(38)16-26(30)40;36-19-6-8-25(23(38)15-19)42-32-21(12-17-10-11-49-34(17)32)30(40-42)27(44)4-2-1-3-5-28(45)31-22-13-18-14-29(51(46,47)48)50-35(18)33(22)43(41-31)26-9-7-20(37)16-24(26)39;36-21-8-10-29(25(38)17-21)42-32-23(14-19-12-13-47-34(19)32)27(40-42)6-4-2-1-3-5-7-28-24-15-20-16-31(49(44,45)46)48-35(20)33(24)43(41-28)30-11-9-22(37)18-26(30)39;34-17-2-4-23(21(36)13-17)42-28-19(10-15-6-9-49-30(15)28)26(40-42)32(44)38-7-1-8-39-33(45)27-20-11-16-12-25(51(46,47)48)50-31(16)29(20)43(41-27)24-5-3-18(35)14-22(24)37;4*1-4(2)3/h4-11,14-17H,1-3,12-13H2,(H,46,47,48);6-11,14-16,27-28,44-45H,1-5,12-13H2,(H,46,47,48);4-13,16-18H,1-3,14-15H2,(H,44,45,46);2-6,9,12-14H,1,7-8,10-11H2,(H,38,44)(H,39,45)(H,46,47,48);;;;/b27-4-,28-5-;;6-4+,7-5+
• InChIKey: JOONYEDVTGEXOY-LAIITHDSSA-N
• XLogP: 36.98
• TPSA: 650.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 38
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3571.71
LogP ≤ 5	36.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)?

The IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide) (CID 158977465) is 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide).

What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)?

The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide) is O=C(NCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(S(=O)(=O)O)sc1-2)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccsc1-2.O=S(=O)(O)c1cc2c(s1)-c1c(c(/C(F)=C/CCC/C=C(\F)c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)cn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)(O)c1cc2c(s1)-c1c(c(/C=C/CCC/C=C/c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(O)CCCCCC(O)c3nn(-c4ccc(Cl)cc4Cl)c4c3Cc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)C2.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)?

The InChIKey is JOONYEDVTGEXOY-LAIITHDSSA-N. The full InChI is InChI=1S/C36H23Cl4F2N3O3S3.C35H28Cl4N4O5S3.C35H24Cl4N4O3S3.C33H22Cl4N6O5S3.4O3S/c37-20-6-8-29(25(39)15-20)44-17-24(22-13-19-14-31(51(46,47)48)50-36(19)33(22)44)27(41)4-2-1-3-5-28(42)32-23-12-18-10-11-49-35(18)34(23)45(43-32)30-9-7-21(38)16-26(30)40;36-19-6-8-25(23(38)15-19)42-32-21(12-17-10-11-49-34(17)32)30(40-42)27(44)4-2-1-3-5-28(45)31-22-13-18-14-29(51(46,47)48)50-35(18)33(22)43(41-31)26-9-7-20(37)16-24(26)39;36-21-8-10-29(25(38)17-21)42-32-23(14-19-12-13-47-34(19)32)27(40-42)6-4-2-1-3-5-7-28-24-15-20-16-31(49(44,45)46)48-35(20)33(24)43(41-28)30-11-9-22(37)18-26(30)39;34-17-2-4-23(21(36)13-17)42-28-19(10-15-6-9-49-30(15)28)26(40-42)32(44)38-7-1-8-39-33(45)27-20-11-16-12-25(51(46,47)48)50-31(16)29(20)43(41-27)24-5-3-18(35)14-22(24)37;4*1-4(2)3/h4-11,14-17H,1-3,12-13H2,(H,46,47,48);6-11,14-16,27-28,44-45H,1-5,12-13H2,(H,46,47,48);4-13,16-18H,1-3,14-15H2,(H,44,45,46);2-6,9,12-14H,1,7-8,10-11H2,(H,38,44)(H,39,45)(H,46,47,48);;;;/b27-4-,28-5-;;6-4+,7-5+;;;;;.

What are the key properties of 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide)?

3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide) has a molecular weight of 3571.71 g/mol, XLogP of 36.98, 38 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dichlorophenyl)-5-[3-[[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carbonyl]amino]propylcarbamoyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;11-(2,4-dichlorophenyl)-9-[(1Z,6Z)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-difluorohepta-1,6-dienyl]-3-thia-11-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-sulfonic acid;3-(2,4-dichlorophenyl)-5-[7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]-1,7-dihydroxyheptyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;3-(2,4-dichlorophenyl)-5-[(1E,6E)-7-[3-(2,4-dichlorophenyl)-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl]hepta-1,6-dienyl]-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-10-sulfonic acid;tetrakis(sulfur trioxide) is sourced from PubChem (CID 158977465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).