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

C230H244Cl4F8N8O6S12 — CID 160535884

About 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

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 (PubChem CID 160535884) has the molecular formula C230H244Cl4F8N8O6S12 and a molecular weight of 3895.13 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-[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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160535884
• Molecular Formula: C230H244Cl4F8N8O6S12
• Molecular Weight: 3895.13 g/mol
• Exact Mass: 3889.43
• IUPAC Name: 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
• SMILES: CCCCCCCCOc1cccc(-c2nc3c(C)c(F)c(F)c(-c4ccc(-c5cc(F)c(-c6ccc(-c7c(F)c(F)c(-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.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
• InChI: InChI=1S/C115H120Cl2F6N4O3S6.C115H124Cl2F2N4O3S6/c1-11-18-23-26-29-32-53-128-77-46-36-43-74(60-77)108-107(73-42-35-39-68(8)56-73)125-111-99(103(121)102(120)70(10)106(111)124-108)90-51-49-88(132-90)80-63-87(119)81(64-86(80)118)89-50-52-91(133-89)100-104(122)105(123)101(113-112(100)126-109(75-44-37-47-78(61-75)129-54-33-30-27-24-19-12-2)110(127-113)76-45-38-48-79(62-76)130-55-34-31-28-25-20-13-3)94-65-83-98(96-67-85(117)93(135-96)59-72(17-7)41-22-15-5)114-82(57-69(9)131-114)97(115(83)136-94)95-66-84(116)92(134-95)58-71(16-6)40-21-14-4;1-11-18-23-26-29-32-57-124-81-46-36-43-78(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/h35-39,42-52,56-57,60-67,71-72H,11-34,40-41,53-55,58-59H2,1-10H3;35-39,42-56,60-61,64-71,75-76H,11-34,40-41,57-59,62-63H2,1-10H3
• InChIKey: QWDOCHPKKIMPAK-UHFFFAOYSA-N
• XLogP: 78.22
• TPSA: 158.50 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 94
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3895.13
LogP ≤ 5	78.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

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-[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?

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-[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) is 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.

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-[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?

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-[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 is CCCCCCCCOc1cccc(-c2nc3c(C)c(F)c(F)c(-c4ccc(-c5cc(F)c(-c6ccc(-c7c(F)c(F)c(-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.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-[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?

The InChIKey is QWDOCHPKKIMPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H120Cl2F6N4O3S6.C115H124Cl2F2N4O3S6/c1-11-18-23-26-29-32-53-128-77-46-36-43-74(60-77)108-107(73-42-35-39-68(8)56-73)125-111-99(103(121)102(120)70(10)106(111)124-108)90-51-49-88(132-90)80-63-87(119)81(64-86(80)118)89-50-52-91(133-89)100-104(122)105(123)101(113-112(100)126-109(75-44-37-47-78(61-75)129-54-33-30-27-24-19-12-2)110(127-113)76-45-38-48-79(62-76)130-55-34-31-28-25-20-13-3)94-65-83-98(96-67-85(117)93(135-96)59-72(17-7)41-22-15-5)114-82(57-69(9)131-114)97(115(83)136-94)95-66-84(116)92(134-95)58-71(16-6)40-21-14-4;1-11-18-23-26-29-32-57-124-81-46-36-43-78(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/h35-39,42-52,56-57,60-67,71-72H,11-34,40-41,53-55,58-59H2,1-10H3;35-39,42-56,60-61,64-71,75-76H,11-34,40-41,57-59,62-63H2,1-10H3.

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-[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?

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 has a molecular weight of 3895.13 g/mol, XLogP of 78.22, 94 rotatable bonds, 0 hydrogen bond donors, and 26 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-[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 is sourced from PubChem (CID 160535884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).