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

C296H350F6N10O16S16 — CID 161383657

IUPAC4-[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
SMILESCCCCC(CC)Cc1ccc(-c2c3cc(-c4sc(-c5ccc(-c6ccc(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)c(F)c6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)oc3c(-c3ccc(CC(CC)CCCC)s3)c3cc(C)oc23)s1.CCCCCCC(CCCC)COc1c(OCC(CCCC)CCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5c(OCC(CCCC)CCCCCC)c(OCC(CCCC)CCCCCC)c(-c6cc7c(-c8ccc(CC(CC)CCCC)s8)c8oc(C)cc8c(-c8ccc(CC(CC)CCCC)s8)c7o6)c6nsnc56)s4)c(F)c3F)s2)c2nsnc2c1C.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc9c(-c%10ccc(CC(CC)CCCC)s%10)c%10oc(C)cc%10c(-c%10ccc(CC(CC)CCCC)s%10)c9o8)c8nc(-c9cccc(C)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)c(F)c5F)s4)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C110H152F2N4O6S6.C108H112F2N4O4S4.C78H86F2N2O6S6/c1-15-27-37-41-51-77(47-33-21-7)69-117-105-74(14)101-103(115-127-113-101)97(109(105)119-71-79(49-35-23-9)53-43-39-29-17-3)92-63-61-88(125-92)83-57-58-84(100(112)99(83)111)89-62-64-93(126-89)98-104-102(114-128-116-104)96(108(118-70-78(48-34-22-8)52-42-38-28-16-2)110(98)120-72-80(50-36-24-10)54-44-40-30-18-4)87-68-86-95(91-60-56-82(124-91)67-76(26-12)46-32-20-6)106-85(65-73(13)121-106)94(107(86)122-87)90-59-55-81(123-90)66-75(25-11)45-31-19-5;1-11-17-21-23-25-27-57-115-77-41-31-39-75(64-77)102-100(73-37-29-33-67(7)59-73)113-105-84(46-43-69(9)99(105)111-102)91-55-53-89(121-91)82-48-49-83(98(110)97(82)109)90-54-56-92(122-90)85-50-47-81(104-106(85)114-103(101(112-104)74-38-30-34-68(8)60-74)76-40-32-42-78(65-76)116-58-28-26-24-22-18-12-2)88-66-87-96(94-52-45-80(120-94)63-72(16-6)36-20-14-4)107-86(61-70(10)117-107)95(108(87)118-88)93-51-44-79(119-93)62-71(15-5)35-19-13-3;1-11-19-23-45(15-5)38-49-27-31-58(90-49)63-53-37-43(9)87-70(53)64(59-32-28-50(91-59)39-46(16-6)24-20-12-2)54-40-55(88-71(54)63)72-66-67(78(86)82(77(66)85)42-48(18-8)26-22-14-4)74(94-72)61-36-34-57(93-61)52-30-29-51(68(79)69(52)80)56-33-35-60(92-56)73-65-62(44(10)89-73)75(83)81(76(65)84)41-47(17-7)25-21-13-3/h55-65,68,75-80H,15-54,66-67,69-72H2,1-14H3;29-34,37-56,59-61,64-66,71-72H,11-28,35-36,57-58,62-63H2,1-10H3;27-37,40,45-48H,11-26,38-39,41-42H2,1-10H3
InChIKeyVSAYJWJVVMDOEF-UHFFFAOYSA-N
MW4931.17 g/mol
LogP97.55
Rot. Bonds133

About 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

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 (PubChem CID 161383657) has the molecular formula C296H350F6N10O16S16 and a molecular weight of 4931.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161383657
Molecular FormulaC296H350F6N10O16S16
Molecular Weight4931.17 g/mol
Exact Mass4926.23
IUPAC Name4-[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
SMILESCCCCC(CC)Cc1ccc(-c2c3cc(-c4sc(-c5ccc(-c6ccc(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)c(F)c6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)oc3c(-c3ccc(CC(CC)CCCC)s3)c3cc(C)oc23)s1.CCCCCCC(CCCC)COc1c(OCC(CCCC)CCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5c(OCC(CCCC)CCCCCC)c(OCC(CCCC)CCCCCC)c(-c6cc7c(-c8ccc(CC(CC)CCCC)s8)c8oc(C)cc8c(-c8ccc(CC(CC)CCCC)s8)c7o6)c6nsnc56)s4)c(F)c3F)s2)c2nsnc2c1C.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc9c(-c%10ccc(CC(CC)CCCC)s%10)c%10oc(C)cc%10c(-c%10ccc(CC(CC)CCCC)s%10)c9o8)c8nc(-c9cccc(C)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)c(F)c5F)s4)c3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C110H152F2N4O6S6.C108H112F2N4O4S4.C78H86F2N2O6S6/c1-15-27-37-41-51-77(47-33-21-7)69-117-105-74(14)101-103(115-127-113-101)97(109(105)119-71-79(49-35-23-9)53-43-39-29-17-3)92-63-61-88(125-92)83-57-58-84(100(112)99(83)111)89-62-64-93(126-89)98-104-102(114-128-116-104)96(108(118-70-78(48-34-22-8)52-42-38-28-16-2)110(98)120-72-80(50-36-24-10)54-44-40-30-18-4)87-68-86-95(91-60-56-82(124-91)67-76(26-12)46-32-20-6)106-85(65-73(13)121-106)94(107(86)122-87)90-59-55-81(123-90)66-75(25-11)45-31-19-5;1-11-17-21-23-25-27-57-115-77-41-31-39-75(64-77)102-100(73-37-29-33-67(7)59-73)113-105-84(46-43-69(9)99(105)111-102)91-55-53-89(121-91)82-48-49-83(98(110)97(82)109)90-54-56-92(122-90)85-50-47-81(104-106(85)114-103(101(112-104)74-38-30-34-68(8)60-74)76-40-32-42-78(65-76)116-58-28-26-24-22-18-12-2)88-66-87-96(94-52-45-80(120-94)63-72(16-6)36-20-14-4)107-86(61-70(10)117-107)95(108(87)118-88)93-51-44-79(119-93)62-71(15-5)35-19-13-3;1-11-19-23-45(15-5)38-49-27-31-58(90-49)63-53-37-43(9)87-70(53)64(59-32-28-50(91-59)39-46(16-6)24-20-12-2)54-40-55(88-71(54)63)72-66-67(78(86)82(77(66)85)42-48(18-8)26-22-14-4)74(94-72)61-36-34-57(93-61)52-30-29-51(68(79)69(52)80)56-33-35-60(92-56)73-65-62(44(10)89-73)75(83)81(76(65)84)41-47(17-7)25-21-13-3/h55-65,68,75-80H,15-54,66-67,69-72H2,1-14H3;29-34,37-56,59-61,64-66,71-72H,11-28,35-36,57-58,62-63H2,1-10H3;27-37,40,45-48H,11-26,38-39,41-42H2,1-10H3
InChIKeyVSAYJWJVVMDOEF-UHFFFAOYSA-N
XLogP97.55
TPSA312.10 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds133
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004931.17
LogP ≤ 597.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 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 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-[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
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
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-[7-[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;4-[5-[4-[5-[7-[4,8-bis[3-(2-ethylhexoxy)phenyl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazole;N-[2-[5-[4-[5-[7-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-5-dodecoxy-6-methyl-2,1,3-benzoselenadiazol-4-yl]thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-4-dodecoxy-6-imino-3,5-dimethylcyclohexa-2,4-dien-1-ylidene]selenohydroxylamine
CID 159789867
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
5-dodecoxy-4-[5-[4-[5-(6-dodecoxy-5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2,3-difluorophenyl]thiophen-2-yl]-7-[4-[5-(2-ethylhexyl)thiophen-2-yl]-8-[5-(2-ethynylhexyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]-6-methyl-2,1,3-benzothiadiazole
CID 157085440
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-(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-[5-[5-[5-[5,6-difluoro-4-[5-[5-[5-hexoxy-6-methyl-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]-3-(2-methyldodecyl)thiophen-2-yl]thiophen-2-yl]-4-(2-ethylhexyl)thiophen-2-yl]-7-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole
CID 134195822
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
2-(2-ethylhexyl)-5-[5-[4-[5-[2-(2-ethylhexyl)-1,3-dioxoisoindol-5-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]isoindole-1,3-dione
CID 102189399
5,6-didodecoxy-4-[5-[3-(2-ethylhexyl)-5-[7-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4-fluorothiophen-2-yl]-7-(4-fluoro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 134195810

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)Cc1ccc(-c2c3cc(-c4sc(-c5ccc(-c6ccc(-c7ccc(-c8sc(C)c9c8C(=O)N(CC(CC)CCCC)C9=O)s7)c(F)c6F)s5)c5c4C(=O)N(CC(CC)CCCC)C5=O)oc3c(-c3ccc(CC(CC)CCCC)s3)c3cc(C)oc23)s1.CCCCCCC(CCCC)COc1c(OCC(CCCC)CCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5c(OCC(CCCC)CCCCCC)c(OCC(CCCC)CCCCCC)c(-c6cc7c(-c8ccc(CC(CC)CCCC)s8)c8oc(C)cc8c(-c8ccc(CC(CC)CCCC)s8)c7o6)c6nsnc56)s4)c(F)c3F)s2)c2nsnc2c1C.CCCCCCCCOc1cccc(-c2nc3c(C)ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc9c(-c%10ccc(CC(CC)CCCC)s%10)c%10oc(C)cc%10c(-c%10ccc(CC(CC)CCCC)s%10)c9o8)c8nc(-c9cccc(C)c9)c(-c9cccc(OCCCCCCCC)c9)nc78)s6)c(F)c5F)s4)c3nc2-c2cccc(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is VSAYJWJVVMDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H152F2N4O6S6.C108H112F2N4O4S4.C78H86F2N2O6S6/c1-15-27-37-41-51-77(47-33-21-7)69-117-105-74(14)101-103(115-127-113-101)97(109(105)119-71-79(49-35-23-9)53-43-39-29-17-3)92-63-61-88(125-92)83-57-58-84(100(112)99(83)111)89-62-64-93(126-89)98-104-102(114-128-116-104)96(108(118-70-78(48-34-22-8)52-42-38-28-16-2)110(98)120-72-80(50-36-24-10)54-44-40-30-18-4)87-68-86-95(91-60-56-82(124-91)67-76(26-12)46-32-20-6)106-85(65-73(13)121-106)94(107(86)122-87)90-59-55-81(123-90)66-75(25-11)45-31-19-5;1-11-17-21-23-25-27-57-115-77-41-31-39-75(64-77)102-100(73-37-29-33-67(7)59-73)113-105-84(46-43-69(9)99(105)111-102)91-55-53-89(121-91)82-48-49-83(98(110)97(82)109)90-54-56-92(122-90)85-50-47-81(104-106(85)114-103(101(112-104)74-38-30-34-68(8)60-74)76-40-32-42-78(65-76)116-58-28-26-24-22-18-12-2)88-66-87-96(94-52-45-80(120-94)63-72(16-6)36-20-14-4)107-86(61-70(10)117-107)95(108(87)118-88)93-51-44-79(119-93)62-71(15-5)35-19-13-3;1-11-19-23-45(15-5)38-49-27-31-58(90-49)63-53-37-43(9)87-70(53)64(59-32-28-50(91-59)39-46(16-6)24-20-12-2)54-40-55(88-71(54)63)72-66-67(78(86)82(77(66)85)42-48(18-8)26-22-14-4)74(94-72)61-36-34-57(93-61)52-30-29-51(68(79)69(52)80)56-33-35-60(92-56)73-65-62(44(10)89-73)75(83)81(76(65)84)41-47(17-7)25-21-13-3/h55-65,68,75-80H,15-54,66-67,69-72H2,1-14H3;29-34,37-56,59-61,64-66,71-72H,11-28,35-36,57-58,62-63H2,1-10H3;27-37,40,45-48H,11-26,38-39,41-42H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 4931.17 g/mol, XLogP of 97.55, 133 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161383657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).