7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole

C172H214F6N8O6S17 — CID 153302182

About 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole

7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (PubChem CID 153302182) has the molecular formula C172H214F6N8O6S17 and a molecular weight of 3148.78 g/mol. Its IUPAC name is 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole.

Molecular Properties

• Compound Name: 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole
• PubChem CID: 153302182
• Molecular Formula: C172H214F6N8O6S17
• Molecular Weight: 3148.78 g/mol
• Exact Mass: 3145.18
• IUPAC Name: 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole
• SMILES: CCCCCCCCCCCCOc1c(-c2ccc(-c3cc(F)c(-c4ccc(C)s4)c4nsnc34)s2)sc(-c2ccc(-c3cc(F)c(-c4ccc(-c5sc(-c6ccc(-c7c(F)cc(-c8ccc(-c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13sc(-c%14cc(F)c(-c%15cc(CC(CC)CCCC)c(C)s%15)cc%14F)cc%13CC(CC)CCCC)s%12)c%12nsnc%11%12)s%10)c(OCCCCCCCCCCCC)c9OCCCCCCCCCCCC)s8)c8nsnc78)s6)c(OCCCCCCCCCCCC)c5OCCCCCCCCCCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C172H214F6N8O6S17/c1-13-23-31-37-43-49-55-61-67-73-97-187-160-161(188-98-74-68-62-56-50-44-38-32-24-14-2)169(203-167(160)140-90-83-131(195-140)121-109-127(175)148(135-82-81-113(11)193-135)156-152(121)179-206-183-156)142-92-85-133(197-142)123-111-129(177)150(158-154(123)181-208-185-158)137-88-95-144(200-137)171-164(191-101-77-71-65-59-53-47-41-35-27-17-5)165(192-102-78-72-66-60-54-48-42-36-28-18-6)172(205-171)145-96-89-138(201-145)151-130(178)112-124(155-159(151)186-209-182-155)134-86-93-143(198-134)170-163(190-100-76-70-64-58-52-46-40-34-26-16-4)162(189-99-75-69-63-57-51-45-39-33-25-15-3)168(204-170)141-91-84-132(196-141)122-110-128(176)149(157-153(122)180-207-184-157)136-87-94-139(199-136)166-118(104-116(22-10)80-30-20-8)106-147(202-166)120-108-125(173)119(107-126(120)174)146-105-117(114(12)194-146)103-115(21-9)79-29-19-7/h81-96,105-112,115-116H,13-80,97-104H2,1-12H3
• InChIKey: GUTISLOKNHHXPA-UHFFFAOYSA-N
• XLogP: 63.61
• TPSA: 158.50 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 101
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3148.78
LogP ≤ 5	63.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole?

The IUPAC name of 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (CID 153302182) is 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole.

What is the SMILES notation for 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole?

The canonical SMILES for 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole is CCCCCCCCCCCCOc1c(-c2ccc(-c3cc(F)c(-c4ccc(C)s4)c4nsnc34)s2)sc(-c2ccc(-c3cc(F)c(-c4ccc(-c5sc(-c6ccc(-c7c(F)cc(-c8ccc(-c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13sc(-c%14cc(F)c(-c%15cc(CC(CC)CCCC)c(C)s%15)cc%14F)cc%13CC(CC)CCCC)s%12)c%12nsnc%11%12)s%10)c(OCCCCCCCCCCCC)c9OCCCCCCCCCCCC)s8)c8nsnc78)s6)c(OCCCCCCCCCCCC)c5OCCCCCCCCCCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC.

What is the InChIKey of 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole?

The InChIKey is GUTISLOKNHHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H214F6N8O6S17/c1-13-23-31-37-43-49-55-61-67-73-97-187-160-161(188-98-74-68-62-56-50-44-38-32-24-14-2)169(203-167(160)140-90-83-131(195-140)121-109-127(175)148(135-82-81-113(11)193-135)156-152(121)179-206-183-156)142-92-85-133(197-142)123-111-129(177)150(158-154(123)181-208-185-158)137-88-95-144(200-137)171-164(191-101-77-71-65-59-53-47-41-35-27-17-5)165(192-102-78-72-66-60-54-48-42-36-28-18-6)172(205-171)145-96-89-138(201-145)151-130(178)112-124(155-159(151)186-209-182-155)134-86-93-143(198-134)170-163(190-100-76-70-64-58-52-46-40-34-26-16-4)162(189-99-75-69-63-57-51-45-39-33-25-15-3)168(204-170)141-91-84-132(196-141)122-110-128(176)149(157-153(122)180-207-184-157)136-87-94-139(199-136)166-118(104-116(22-10)80-30-20-8)106-147(202-166)120-108-125(173)119(107-126(120)174)146-105-117(114(12)194-146)103-115(21-9)79-29-19-7/h81-96,105-112,115-116H,13-80,97-104H2,1-12H3.

What are the key properties of 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole?

7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole has a molecular weight of 3148.78 g/mol, XLogP of 63.61, 101 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[3,4-didodecoxy-5-[5-[4-[5-[3-(2-ethylhexyl)-5-[4-[4-(2-ethylhexyl)-5-methylthiophen-2-yl]-2,5-difluorophenyl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-[5-[5-[5-[7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-3,4-didodecoxythiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 153302182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).