4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine

C231H232F13N15O6S16 — CID 158028453

IUPAC4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCCCC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C)cc5F)cc4)c4nsnc34)cc2)c(F)c1.CCCCC(CC)COc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5F)s4)c4nsnc34)s2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C42H46F2N2O2S3.C41H45F2N3O2S3.C41H47N3O2S3.C36H34F2N2S3.C36H35FN2S3.C35H25F6N3S/c1-5-9-11-27(7-3)25-47-31-17-13-29(14-18-31)33-21-23-35(49-33)37-39(43)40(44)38(42-41(37)45-51-46-42)36-24-22-34(50-36)30-15-19-32(20-16-30)48-26-28(8-4)12-10-6-2;1-5-9-11-26(7-3)24-47-28-13-15-30(33(42)21-28)35-17-18-37(49-35)32-23-44-40(41-39(32)45-51-46-41)38-20-19-36(50-38)31-16-14-29(22-34(31)43)48-25-27(8-4)12-10-6-2;1-5-9-11-28(7-3)26-45-32-17-13-30(14-18-32)35-21-23-37(47-35)34-25-42-40(41-39(34)43-49-44-41)38-24-22-36(48-38)31-15-19-33(20-16-31)46-27-29(8-4)12-10-6-2;1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-29(41-27)31-33(37)34(38)32(36-35(31)39-43-40-36)30-22-20-28(42-30)26-17-13-24(14-18-26)10-8-6-4-2;1-3-5-7-9-24-11-15-26(16-12-24)30-19-21-32(40-30)28-23-29(37)34(36-35(28)38-42-39-36)33-22-20-31(41-33)27-17-13-25(14-18-27)10-8-6-4-2;1-3-16-34(38,39)35(40,41)25-13-15-27(30(37)18-25)22-9-11-24(12-10-22)31-33-32(43-45-44-33)28(19-42-31)23-7-5-21(6-8-23)26-14-4-20(2)17-29(26)36/h13-24,27-28H,5-12,25-26H2,1-4H3;13-23,26-27H,5-12,24-25H2,1-4H3;13-25,28-29H,5-12,26-27H2,1-4H3;11-22H,3-10H2,1-2H3;11-23H,3-10H2,1-2H3;4-15,17-19H,3,16H2,1-2H3
InChIKeyFGWROFYDTWNMBA-UHFFFAOYSA-N
MW4074.54 g/mol
LogP75.55
Rot. Bonds86

About 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine

4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 158028453) has the molecular formula C231H232F13N15O6S16 and a molecular weight of 4074.54 g/mol. Its IUPAC name is 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID158028453
Molecular FormulaC231H232F13N15O6S16
Molecular Weight4074.54 g/mol
Exact Mass4070.36
IUPAC Name4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCCCC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C)cc5F)cc4)c4nsnc34)cc2)c(F)c1.CCCCC(CC)COc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5F)s4)c4nsnc34)s2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C42H46F2N2O2S3.C41H45F2N3O2S3.C41H47N3O2S3.C36H34F2N2S3.C36H35FN2S3.C35H25F6N3S/c1-5-9-11-27(7-3)25-47-31-17-13-29(14-18-31)33-21-23-35(49-33)37-39(43)40(44)38(42-41(37)45-51-46-42)36-24-22-34(50-36)30-15-19-32(20-16-30)48-26-28(8-4)12-10-6-2;1-5-9-11-26(7-3)24-47-28-13-15-30(33(42)21-28)35-17-18-37(49-35)32-23-44-40(41-39(32)45-51-46-41)38-20-19-36(50-38)31-16-14-29(22-34(31)43)48-25-27(8-4)12-10-6-2;1-5-9-11-28(7-3)26-45-32-17-13-30(14-18-32)35-21-23-37(47-35)34-25-42-40(41-39(34)43-49-44-41)38-24-22-36(48-38)31-15-19-33(20-16-31)46-27-29(8-4)12-10-6-2;1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-29(41-27)31-33(37)34(38)32(36-35(31)39-43-40-36)30-22-20-28(42-30)26-17-13-24(14-18-26)10-8-6-4-2;1-3-5-7-9-24-11-15-26(16-12-24)30-19-21-32(40-30)28-23-29(37)34(36-35(28)38-42-39-36)33-22-20-31(41-33)27-17-13-25(14-18-27)10-8-6-4-2;1-3-16-34(38,39)35(40,41)25-13-15-27(30(37)18-25)22-9-11-24(12-10-22)31-33-32(43-45-44-33)28(19-42-31)23-7-5-21(6-8-23)26-14-4-20(2)17-29(26)36/h13-24,27-28H,5-12,25-26H2,1-4H3;13-23,26-27H,5-12,24-25H2,1-4H3;13-25,28-29H,5-12,26-27H2,1-4H3;11-22H,3-10H2,1-2H3;11-23H,3-10H2,1-2H3;4-15,17-19H,3,16H2,1-2H3
InChIKeyFGWROFYDTWNMBA-UHFFFAOYSA-N
XLogP75.55
TPSA248.73 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds86
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004074.54
LogP ≤ 575.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine with MolForge

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Related Compounds

4,7-Bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 117718938
4,7-Bis[5-[2-fluoro-4-(2-methylpropoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 138461687
4,7-Bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 157849890
4,7-Bis[2-(4-butylphenyl)ethynyl]-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[4-[4-(2-ethylhexoxy)phenyl]phenyl]-2,1,3-benzothiadiazole;4,7-bis[5-(2-fluoro-4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[4-(4-pentylphenyl)phenyl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 158105090
4,7-Bis[5-[4-(1,1-difluorobutoxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-(4-ethoxy-2-fluorophenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-(2-fluoro-4-heptylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-7-[5-[4-(2-methylbutoxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 158951626
4,7-Bis[5-[4-(1,1-difluorobutoxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-(4-ethoxy-2-fluorophenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-(2-fluoro-4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;4,7-bis[5-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-7-[5-[4-(2-methylbutoxy)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(2-fluoro-4-heptylphenyl)thiophen-2-yl]-7-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 159395789
4,9-Bis[5-[4-(1,1-difluorobutoxy)phenyl]thiophen-2-yl]-6,7-diethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4,9-bis[5-[4-(1,1-difluorobutoxy)phenyl]thiophen-2-yl]-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline;4,9-bis[5-[4-(3-ethylheptyl)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[4-[4-(3-ethylheptyl)-2-fluorophenyl]phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline;6,7-diethyl-4,9-bis[4-(2-fluoro-4-pentylphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 160566098
4,7-Bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole;4,7-bis[5-(2-fluoro-4-pentylphenyl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 160744636
5,10-Bis[bis(4-hexoxyphenyl)methyl]-2,7-bis[4-(2-ethylhexyl)-5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,8-difluoroindolo[3,2-b]indole
CID 163404687
5,10-Bis[bis(4-hexoxyphenyl)methyl]-2,7-bis[4-(2-ethylhexyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]-3,8-difluoroindolo[3,2-b]indole
CID 163404691
7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
CID 177395138
4-[7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-(5-phenylthiophen-2-yl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-N,N-diphenylaniline
CID 177608461

Frequently Asked Questions

What is the IUPAC name of 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 158028453) is 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine is CCCC(F)(F)C(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C)cc5F)cc4)c4nsnc34)cc2)c(F)c1.CCCCC(CC)COc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCC(CC)COc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(OCC(CC)CCCC)cc5F)s4)c4nsnc34)s2)c(F)c1.CCCCCc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1.
What is the InChIKey of 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is FGWROFYDTWNMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46F2N2O2S3.C41H45F2N3O2S3.C41H47N3O2S3.C36H34F2N2S3.C36H35FN2S3.C35H25F6N3S/c1-5-9-11-27(7-3)25-47-31-17-13-29(14-18-31)33-21-23-35(49-33)37-39(43)40(44)38(42-41(37)45-51-46-42)36-24-22-34(50-36)30-15-19-32(20-16-30)48-26-28(8-4)12-10-6-2;1-5-9-11-26(7-3)24-47-28-13-15-30(33(42)21-28)35-17-18-37(49-35)32-23-44-40(41-39(32)45-51-46-41)38-20-19-36(50-38)31-16-14-29(22-34(31)43)48-25-27(8-4)12-10-6-2;1-5-9-11-28(7-3)26-45-32-17-13-30(14-18-32)35-21-23-37(47-35)34-25-42-40(41-39(34)43-49-44-41)38-24-22-36(48-38)31-15-19-33(20-16-31)46-27-29(8-4)12-10-6-2;1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-29(41-27)31-33(37)34(38)32(36-35(31)39-43-40-36)30-22-20-28(42-30)26-17-13-24(14-18-26)10-8-6-4-2;1-3-5-7-9-24-11-15-26(16-12-24)30-19-21-32(40-30)28-23-29(37)34(36-35(28)38-42-39-36)33-22-20-31(41-33)27-17-13-25(14-18-27)10-8-6-4-2;1-3-16-34(38,39)35(40,41)25-13-15-27(30(37)18-25)22-9-11-24(12-10-22)31-33-32(43-45-44-33)28(19-42-31)23-7-5-21(6-8-23)26-14-4-20(2)17-29(26)36/h13-24,27-28H,5-12,25-26H2,1-4H3;13-23,26-27H,5-12,24-25H2,1-4H3;13-25,28-29H,5-12,26-27H2,1-4H3;11-22H,3-10H2,1-2H3;11-23H,3-10H2,1-2H3;4-15,17-19H,3,16H2,1-2H3.
What are the key properties of 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine?
4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 4074.54 g/mol, XLogP of 75.55, 86 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[5-[4-(2-ethylhexoxy)-2-fluorophenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole;4,7-bis[5-[4-(2-ethylhexoxy)phenyl]thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine;5,6-difluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;5-fluoro-4,7-bis[5-(4-pentylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole;7-[4-(2-fluoro-4-methylphenyl)phenyl]-4-[4-[2-fluoro-4-(1,1,2,2-tetrafluoropentyl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 158028453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).