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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole

C172H202F6N8O4S19 — CID 153302186

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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (PubChem CID 153302186) has the molecular formula C172H202F6N8O4S19 and a molecular weight of 3168.82 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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole
• PubChem CID: 153302186
• Molecular Formula: C172H202F6N8O4S19
• Molecular Weight: 3168.82 g/mol
• Exact Mass: 3165.04
• 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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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(-c5ccc(-c6sc(-c7ccc(-c8ccc(-c9c(F)cc(-c%10ccc(-c%11sc(-c%12ccc(-c%13cc(F)c(-c%14ccc(-c%15sc(-c%16cc(F)c(-c%17cc(CC(CC)CCCC)c(C)s%17)cc%16F)cc%15CC(CC)CCCC)s%14)c%14nsnc%13%14)s%12)c(OCCCCCCCCCCCC)c%11OCCCCCCCCCCCC)s%10)c%10nsnc9%10)s8)s7)c(CCCCCCCC)c6CCCCCCCC)s5)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C172H202F6N8O4S19/c1-13-23-31-37-43-47-51-55-61-67-95-187-162-163(188-96-68-62-56-52-48-44-38-32-24-14-2)170(204-169(162)144-88-77-129(193-144)119-105-125(175)150(137-76-75-109(11)191-137)158-154(119)179-206-183-158)145-89-78-130(194-145)120-106-126(176)151(159-155(120)180-207-184-159)138-85-81-133(197-138)135-83-92-142(199-135)167-115(73-65-59-41-35-27-17-5)116(74-66-60-42-36-28-18-6)168(203-167)143-93-84-136(200-143)134-82-86-139(198-134)152-127(177)107-121(156-160(152)185-208-181-156)131-79-90-146(195-131)171-164(189-97-69-63-57-53-49-45-39-33-25-15-3)165(190-98-70-64-58-54-50-46-40-34-26-16-4)172(205-171)147-91-80-132(196-147)122-108-128(178)153(161-157(122)182-209-186-161)140-87-94-141(201-140)166-114(100-112(22-10)72-30-20-8)102-149(202-166)118-104-123(173)117(103-124(118)174)148-101-113(110(12)192-148)99-111(21-9)71-29-19-7/h75-94,101-108,111-112H,13-74,95-100H2,1-12H3
• InChIKey: WNCZAWKUWKMEMD-UHFFFAOYSA-N
• XLogP: 64.27
• TPSA: 140.04 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 93
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3168.82
LogP ≤ 5	64.27
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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (CID 153302186) 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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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(-c5ccc(-c6sc(-c7ccc(-c8ccc(-c9c(F)cc(-c%10ccc(-c%11sc(-c%12ccc(-c%13cc(F)c(-c%14ccc(-c%15sc(-c%16cc(F)c(-c%17cc(CC(CC)CCCC)c(C)s%17)cc%16F)cc%15CC(CC)CCCC)s%14)c%14nsnc%13%14)s%12)c(OCCCCCCCCCCCC)c%11OCCCCCCCCCCCC)s%10)c%10nsnc9%10)s8)s7)c(CCCCCCCC)c6CCCCCCCC)s5)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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole?

The InChIKey is WNCZAWKUWKMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H202F6N8O4S19/c1-13-23-31-37-43-47-51-55-61-67-95-187-162-163(188-96-68-62-56-52-48-44-38-32-24-14-2)170(204-169(162)144-88-77-129(193-144)119-105-125(175)150(137-76-75-109(11)191-137)158-154(119)179-206-183-158)145-89-78-130(194-145)120-106-126(176)151(159-155(120)180-207-184-159)138-85-81-133(197-138)135-83-92-142(199-135)167-115(73-65-59-41-35-27-17-5)116(74-66-60-42-36-28-18-6)168(203-167)143-93-84-136(200-143)134-82-86-139(198-134)152-127(177)107-121(156-160(152)185-208-181-156)131-79-90-146(195-131)171-164(189-97-69-63-57-53-49-45-39-33-25-15-3)165(190-98-70-64-58-54-50-46-40-34-26-16-4)172(205-171)147-91-80-132(196-147)122-108-128(178)153(161-157(122)182-209-186-161)140-87-94-141(201-140)166-114(100-112(22-10)72-30-20-8)102-149(202-166)118-104-123(173)117(103-124(118)174)148-101-113(110(12)192-148)99-111(21-9)71-29-19-7/h75-94,101-108,111-112H,13-74,95-100H2,1-12H3.

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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole has a molecular weight of 3168.82 g/mol, XLogP of 64.27, 93 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-[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]thiophen-2-yl]-3,4-dioctylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 153302186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).