5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione

C271H292Cl4F8N8O9S24 — CID 159051556

IUPAC5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione
SMILESCCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=S)N(CC(CC)CCCC)C5=S)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5cc(F)c(-c6ccc(-c7ccc(-c8cc9c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c%10sc(C)cc%10c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c9s8)c8nc(-c9cccc(OCCCCCCCC)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)cc5F)s4)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C115H124Cl2F2N4O3S6.C78H84ClF3N2O4S8.C78H84ClF3N2O2S10/c1-11-18-23-26-29-32-57-124-81-46-36-43-78(64-81)108-107(77-42-35-39-72(8)60-77)121-111-84(50-49-73(9)106(111)120-108)95-53-55-97(128-95)87-67-94(119)88(68-93(87)118)98-56-54-96(129-98)85-51-52-86(113-112(85)122-109(79-44-37-47-82(65-79)125-58-33-30-27-24-19-12-2)110(123-113)80-45-38-48-83(66-80)126-59-34-31-28-25-20-13-3)99-69-90-105(103-71-92(117)101(131-103)63-76(17-7)41-22-15-5)114-89(61-74(10)127-114)104(115(90)132-99)102-70-91(116)100(130-102)62-75(16-6)40-21-14-4;2*1-11-19-23-43(15-5)32-59-51(79)37-61(93-59)65-49-31-41(9)89-70(49)66(62-38-54(82)60(94-62)33-44(16-6)24-20-12-2)50-36-63(95-71(50)65)74-69-68(77(87)84(78(69)88)40-46(18-8)26-22-14-4)73(96-74)58-30-28-56(92-58)48-35-52(80)47(34-53(48)81)55-27-29-57(91-55)72-67-64(42(10)90-72)75(85)83(76(67)86)39-45(17-7)25-21-13-3/h35-39,42-56,60-61,64-71,75-76H,11-34,40-41,57-59,62-63H2,1-10H3;2*27-31,34-38,43-46H,11-26,32-33,39-40H2,1-10H3
InChIKeyJXIFBYHGVRCKMI-UHFFFAOYSA-N
MW4868.77 g/mol
LogP93.87
Rot. Bonds109

About 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione

5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione (PubChem CID 159051556) has the molecular formula C271H292Cl4F8N8O9S24 and a molecular weight of 4868.77 g/mol. Its IUPAC name is 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione
PubChem CID159051556
Molecular FormulaC271H292Cl4F8N8O9S24
Molecular Weight4868.77 g/mol
Exact Mass4861.46
IUPAC Name5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione
SMILESCCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=S)N(CC(CC)CCCC)C5=S)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5cc(F)c(-c6ccc(-c7ccc(-c8cc9c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c%10sc(C)cc%10c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c9s8)c8nc(-c9cccc(OCCCCCCCC)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)cc5F)s4)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C115H124Cl2F2N4O3S6.C78H84ClF3N2O4S8.C78H84ClF3N2O2S10/c1-11-18-23-26-29-32-57-124-81-46-36-43-78(64-81)108-107(77-42-35-39-72(8)60-77)121-111-84(50-49-73(9)106(111)120-108)95-53-55-97(128-95)87-67-94(119)88(68-93(87)118)98-56-54-96(129-98)85-51-52-86(113-112(85)122-109(79-44-37-47-82(65-79)125-58-33-30-27-24-19-12-2)110(123-113)80-45-38-48-83(66-80)126-59-34-31-28-25-20-13-3)99-69-90-105(103-71-92(117)101(131-103)63-76(17-7)41-22-15-5)114-89(61-74(10)127-114)104(115(90)132-99)102-70-91(116)100(130-102)62-75(16-6)40-21-14-4;2*1-11-19-23-43(15-5)32-59-51(79)37-61(93-59)65-49-31-41(9)89-70(49)66(62-38-54(82)60(94-62)33-44(16-6)24-20-12-2)50-36-63(95-71(50)65)74-69-68(77(87)84(78(69)88)40-46(18-8)26-22-14-4)73(96-74)58-30-28-56(92-58)48-35-52(80)47(34-53(48)81)55-27-29-57(91-55)72-67-64(42(10)90-72)75(85)83(76(67)86)39-45(17-7)25-21-13-3/h35-39,42-56,60-61,64-71,75-76H,11-34,40-41,57-59,62-63H2,1-10H3;2*27-31,34-38,43-46H,11-26,32-33,39-40H2,1-10H3
InChIKeyJXIFBYHGVRCKMI-UHFFFAOYSA-N
XLogP93.87
TPSA194.63 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds109
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004868.77
LogP ≤ 593.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[4-[5-[6,7-difluoro-8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-6,7-difluoro-2,3-bis(3-octoxyphenyl)quinoxaline;5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline
CID 160535884
4-[5-[4-[5-[4-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylfuro[2,3-f][1]benzofuran-2-yl]-5,6-bis(2-butyloctoxy)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-5,6-bis(2-butyloctoxy)-7-methyl-2,1,3-benzothiadiazole;8-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylfuro[2,3-f][1]benzofuran-2-yl]-5-[5-[2,3-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2-(3-methylphenyl)-3-(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylfuro[2,3-f][1]benzofuran-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 161383657
4-[5-[4-[5-[7-[4,8-bis[5-(2-butylhexyl)-4-chlorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-5-octoxy-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5,7-dimethyl-6-octoxy-2,1,3-benzothiadiazole
CID 159972587
5-(2-ethylhexyl)-3-[5-[4-[5-[5-(2-ethylhexyl)-3-[6-methyl-4,8-bis(5-tributylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-2-yl]-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 153473115
4-[4,8-bis(4-chloro-5-hexylthiophen-2-yl)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-7-[5-[4-[5-[5,6-bis(2-ethylhexoxy)-7-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5,6-bis(2-ethylhexoxy)-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4-[5-(2-butylhexyl)-4-chlorothiophen-2-yl]-8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4-[5-(2-butylhexyl)-4-chlorothiophen-2-yl]-8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-5-octoxy-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5,7-dimethyl-6-octoxy-2,1,3-benzothiadiazole
CID 158145963
3-[5-[3-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-1-methyl-5-octylthieno[3,4-c]pyrrole-4,6-dione
CID 121480318
5,9-bis(5-bromothiophen-2-yl)-7-(2-ethylhexyl)-2,3-bis(3-octoxyphenyl)pyrrolo[3,4-g]quinoxaline-6,8-dione
CID 122366350
3-[5-[6-[5-[3-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-(2-ethylhexyl)-1-(5-methylthiophen-2-yl)thieno[3,4-c]pyrrole-4,6-dione
CID 164730108
3-[4-[2-(2-butoxyethoxy)ethoxy]-5-[3-[2-(2-butoxyethoxy)ethoxy]-5-[7-[4-[2-(2-butoxyethoxy)ethoxy]-5-[3-[2-(2-butoxyethoxy)ethoxy]-5-methylthiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione
CID 58401167
3-[5-[2-[3-[5-[3-[5-[2-tert-butyl-4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-5,7-bis(2-ethylhexyl)-4,8-dioxothieno[3,4-f][2]benzothiol-1-yl]thiophen-2-yl]-2,3-dimethylbutan-2-yl]-4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-1-(5-tert-butylthiophen-2-yl)-5,7-bis(2-ethylhexyl)thieno[3,4-f][2]benzothiole-4,8-dione
CID 170253959
4-[5-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-4-(2-butyloctyl)thiophen-2-yl]-9-[4-(2-butyloctyl)-5-methylthiophen-2-yl]-5,8-dithia-13,16-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
CID 176851345
2-[5-[5-[5-[5-[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-3-(2-hexyldecyl)thiophen-2-yl]-3-fluorothiophen-2-yl]-4-fluorothiophen-2-yl]-4-(2-hexyldecyl)thiophen-2-yl]-6-[4-(2-butyloctyl)-5-[5-[5-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-3-fluorothiophen-2-yl]-4-fluorothiophen-2-yl]thiophen-2-yl]-4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 166025771

Frequently Asked Questions

What is the IUPAC name of 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione (CID 159051556) is 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione is CCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCC(CC)Cc1sc(-c2c3cc(-c4sc(-c5ccc(-c6cc(F)c(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)cc6F)s5)c5c4C(=S)N(CC(CC)CCCC)C5=S)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc(C)sc23)cc1F.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5cc(F)c(-c6ccc(-c7ccc(-c8cc9c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c%10sc(C)cc%10c(-c%10cc(Cl)c(CC(CC)CCCC)s%10)c9s8)c8nc(-c9cccc(OCCCCCCCC)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)cc5F)s4)c3nc2-c2cccc(C)c2)c1.
What is the InChIKey of 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is JXIFBYHGVRCKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H124Cl2F2N4O3S6.C78H84ClF3N2O4S8.C78H84ClF3N2O2S10/c1-11-18-23-26-29-32-57-124-81-46-36-43-78(64-81)108-107(77-42-35-39-72(8)60-77)121-111-84(50-49-73(9)106(111)120-108)95-53-55-97(128-95)87-67-94(119)88(68-93(87)118)98-56-54-96(129-98)85-51-52-86(113-112(85)122-109(79-44-37-47-82(65-79)125-58-33-30-27-24-19-12-2)110(123-113)80-45-38-48-83(66-80)126-59-34-31-28-25-20-13-3)99-69-90-105(103-71-92(117)101(131-103)63-76(17-7)41-22-15-5)114-89(61-74(10)127-114)104(115(90)132-99)102-70-91(116)100(130-102)62-75(16-6)40-21-14-4;2*1-11-19-23-43(15-5)32-59-51(79)37-61(93-59)65-49-31-41(9)89-70(49)66(62-38-54(82)60(94-62)33-44(16-6)24-20-12-2)50-36-63(95-71(50)65)74-69-68(77(87)84(78(69)88)40-46(18-8)26-22-14-4)73(96-74)58-30-28-56(92-58)48-35-52(80)47(34-53(48)81)55-27-29-57(91-55)72-67-64(42(10)90-72)75(85)83(76(67)86)39-45(17-7)25-21-13-3/h35-39,42-56,60-61,64-71,75-76H,11-34,40-41,57-59,62-63H2,1-10H3;2*27-31,34-38,43-46H,11-26,32-33,39-40H2,1-10H3.
What are the key properties of 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione?
5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 4868.77 g/mol, XLogP of 93.87, 109 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-8-[5-[2,5-difluoro-4-[5-[8-methyl-3-(3-methylphenyl)-2-(3-octoxyphenyl)quinoxalin-5-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(3-octoxyphenyl)quinoxaline;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-bis(sulfanylidene)thieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione;3-[5-[4-[5-[3-[8-[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-4-[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-(2-ethylhexyl)-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]-5-(2-ethylhexyl)-1-methylthieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 159051556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).