1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)

C160H144Cl16F8N16O28S16 — CID 158530699

IUPAC1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)
SMILESO=S(=O)(O)c1cc2c(s1)-c1c(c(C(CCCCCCCCC(c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)C(F)(F)F)C(F)(F)F)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(F)CCCCCCCCC(F)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(O)CCCCCCCCC(O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(COCCCCCCOCc3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C42H36Cl4F6N4O3S3.C40H36Cl4F2N4O3S3.C40H38Cl4N4O5S3.C38H34Cl4N4O5S3.4O3S/c43-24-11-15-32(30(45)20-24)55-37-26(13-9-22-17-18-60-39(22)37)35(53-55)28(41(47,48)49)7-5-3-1-2-4-6-8-29(42(50,51)52)36-27-14-10-23-19-34(62(57,58)59)61-40(23)38(27)56(54-36)33-16-12-25(44)21-31(33)46;41-24-11-15-32(28(43)20-24)49-37-26(13-9-22-17-18-54-39(22)37)35(47-49)30(45)7-5-3-1-2-4-6-8-31(46)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)50(48-36)33-16-12-25(42)21-29(33)44;41-24-11-15-30(28(43)20-24)47-37-26(13-9-22-17-18-54-39(22)37)35(45-47)32(49)7-5-3-1-2-4-6-8-33(50)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)48(46-36)31-16-12-25(42)21-29(31)44;39-24-7-11-32(28(41)18-24)45-35-26(9-5-22-13-16-52-37(22)35)30(43-45)20-50-14-3-1-2-4-15-51-21-31-27-10-6-23-17-34(54(47,48)49)53-38(23)36(27)46(44-31)33-12-8-25(40)19-29(33)42;4*1-4(2)3/h11-12,15-21,28-29H,1-10,13-14H2,(H,57,58,59);11-12,15-21,30-31H,1-10,13-14H2,(H,51,52,53);11-12,15-21,32-33,49-50H,1-10,13-14H2,(H,51,52,53);7-8,11-13,16-19H,1-6,9-10,14-15,20-21H2,(H,47,48,49);;;;
InChIKeyHNIDDBVEQKWFKB-UHFFFAOYSA-N
MW3971.30 g/mol
LogP46.41
Rot. Bonds56

About 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)

1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) (PubChem CID 158530699) has the molecular formula C160H144Cl16F8N16O28S16 and a molecular weight of 3971.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide).

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)
PubChem CID158530699
Molecular FormulaC160H144Cl16F8N16O28S16
Molecular Weight3971.30 g/mol
Exact Mass3960.08
IUPAC Name1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)
SMILESO=S(=O)(O)c1cc2c(s1)-c1c(c(C(CCCCCCCCC(c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)C(F)(F)F)C(F)(F)F)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(F)CCCCCCCCC(F)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(O)CCCCCCCCC(O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(COCCCCCCOCc3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C42H36Cl4F6N4O3S3.C40H36Cl4F2N4O3S3.C40H38Cl4N4O5S3.C38H34Cl4N4O5S3.4O3S/c43-24-11-15-32(30(45)20-24)55-37-26(13-9-22-17-18-60-39(22)37)35(53-55)28(41(47,48)49)7-5-3-1-2-4-6-8-29(42(50,51)52)36-27-14-10-23-19-34(62(57,58)59)61-40(23)38(27)56(54-36)33-16-12-25(44)21-31(33)46;41-24-11-15-32(28(43)20-24)49-37-26(13-9-22-17-18-54-39(22)37)35(47-49)30(45)7-5-3-1-2-4-6-8-31(46)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)50(48-36)33-16-12-25(42)21-29(33)44;41-24-11-15-30(28(43)20-24)47-37-26(13-9-22-17-18-54-39(22)37)35(45-47)32(49)7-5-3-1-2-4-6-8-33(50)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)48(46-36)31-16-12-25(42)21-29(31)44;39-24-7-11-32(28(41)18-24)45-35-26(9-5-22-13-16-52-37(22)35)30(43-45)20-50-14-3-1-2-4-15-51-21-31-27-10-6-23-17-34(54(47,48)49)53-38(23)36(27)46(44-31)33-12-8-25(40)19-29(33)42;4*1-4(2)3/h11-12,15-21,28-29H,1-10,13-14H2,(H,57,58,59);11-12,15-21,30-31H,1-10,13-14H2,(H,51,52,53);11-12,15-21,32-33,49-50H,1-10,13-14H2,(H,51,52,53);7-8,11-13,16-19H,1-6,9-10,14-15,20-21H2,(H,47,48,49);;;;
InChIKeyHNIDDBVEQKWFKB-UHFFFAOYSA-N
XLogP46.41
TPSA623.80 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003971.30
LogP ≤ 546.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) (CID 158530699) is 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide).
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) is O=S(=O)(O)c1cc2c(s1)-c1c(c(C(CCCCCCCCC(c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)C(F)(F)F)C(F)(F)F)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(F)CCCCCCCCC(F)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(C(O)CCCCCCCCC(O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)(O)c1cc2c(s1)-c1c(c(COCCCCCCOCc3nn(-c4ccc(Cl)cc4Cl)c4c3CCc3ccsc3-4)nn1-c1ccc(Cl)cc1Cl)CC2.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)?
The InChIKey is HNIDDBVEQKWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Cl4F6N4O3S3.C40H36Cl4F2N4O3S3.C40H38Cl4N4O5S3.C38H34Cl4N4O5S3.4O3S/c43-24-11-15-32(30(45)20-24)55-37-26(13-9-22-17-18-60-39(22)37)35(53-55)28(41(47,48)49)7-5-3-1-2-4-6-8-29(42(50,51)52)36-27-14-10-23-19-34(62(57,58)59)61-40(23)38(27)56(54-36)33-16-12-25(44)21-31(33)46;41-24-11-15-32(28(43)20-24)49-37-26(13-9-22-17-18-54-39(22)37)35(47-49)30(45)7-5-3-1-2-4-6-8-31(46)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)50(48-36)33-16-12-25(42)21-29(33)44;41-24-11-15-30(28(43)20-24)47-37-26(13-9-22-17-18-54-39(22)37)35(45-47)32(49)7-5-3-1-2-4-6-8-33(50)36-27-14-10-23-19-34(56(51,52)53)55-40(23)38(27)48(46-36)31-16-12-25(42)21-29(31)44;39-24-7-11-32(28(41)18-24)45-35-26(9-5-22-13-16-52-37(22)35)30(43-45)20-50-14-3-1-2-4-15-51-21-31-27-10-6-23-17-34(54(47,48)49)53-38(23)36(27)46(44-31)33-12-8-25(40)19-29(33)42;4*1-4(2)3/h11-12,15-21,28-29H,1-10,13-14H2,(H,57,58,59);11-12,15-21,30-31H,1-10,13-14H2,(H,51,52,53);11-12,15-21,32-33,49-50H,1-10,13-14H2,(H,51,52,53);7-8,11-13,16-19H,1-6,9-10,14-15,20-21H2,(H,47,48,49);;;;.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide)?
1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) has a molecular weight of 3971.30 g/mol, XLogP of 46.41, 56 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-difluorodecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[10-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,10-dihydroxydecyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[11-[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]-1,1,1,12,12,12-hexafluorododecan-2-yl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;1-(2,4-dichlorophenyl)-3-[6-[[1-(2,4-dichlorophenyl)-4,5-dihydrothieno[3,2-g]indazol-3-yl]methoxy]hexoxymethyl]-4,5-dihydrothieno[3,2-g]indazole-7-sulfonic acid;tetrakis(sulfur trioxide) is sourced from PubChem (CID 158530699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).