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

C148H166F6N8O4S17 — CID 153302176

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

4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (PubChem CID 153302176) has the molecular formula C148H166F6N8O4S17 and a molecular weight of 2780.13 g/mol. Its IUPAC name is 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole.

Molecular Properties

• Compound Name: 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole
• PubChem CID: 153302176
• Molecular Formula: C148H166F6N8O4S17
• Molecular Weight: 2780.13 g/mol
• Exact Mass: 2776.82
• IUPAC Name: 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-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(-c5sc(-c6cc(F)c(-c7cc(CC(CC)CCCC)c(-c8ccc(-c9c(F)cc(-c%10ccc(-c%11sc(-c%12ccc(-c%13cc(F)c(-c%14ccc(-c%15ccc(C)s%15)s%14)c%14nsnc%13%14)s%12)c(OCCCCCCCCCCCC)c%11OCCCCCCCCCCCC)s%10)c%10nsnc9%10)s8)s7)cc6F)cc5CC(CC)CCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C148H166F6N8O4S17/c1-11-19-25-29-33-37-41-45-49-53-77-163-139-140(164-78-54-50-46-42-38-34-30-26-20-12-2)147(178-145(139)121-71-63-109(169-121)99-87-105(151)127(115-62-60-92(10)168-115)135-131(99)155-180-159-135)123-73-65-111(171-123)101-89-107(153)129(137-133(101)157-182-161-137)117-69-75-119(174-117)143-95(81-93(17-7)57-23-15-5)83-125(176-143)97-85-104(150)98(86-103(97)149)126-84-96(82-94(18-8)58-24-16-6)144(177-126)120-76-70-118(175-120)130-108(154)90-102(134-138(130)162-183-158-134)112-66-74-124(172-112)148-142(166-80-56-52-48-44-40-36-32-28-22-14-4)141(165-79-55-51-47-43-39-35-31-27-21-13-3)146(179-148)122-72-64-110(170-122)100-88-106(152)128(136-132(100)156-181-160-136)116-68-67-114(173-116)113-61-59-91(9)167-113/h59-76,83-90,93-94H,11-58,77-82H2,1-10H3
• InChIKey: CKYQDUNLUHVYIR-UHFFFAOYSA-N
• XLogP: 55.01
• TPSA: 140.04 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 77
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.13
LogP ≤ 5	55.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole (CID 153302176) is 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole.

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

The canonical SMILES for 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-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(-c5sc(-c6cc(F)c(-c7cc(CC(CC)CCCC)c(-c8ccc(-c9c(F)cc(-c%10ccc(-c%11sc(-c%12ccc(-c%13cc(F)c(-c%14ccc(-c%15ccc(C)s%15)s%14)c%14nsnc%13%14)s%12)c(OCCCCCCCCCCCC)c%11OCCCCCCCCCCCC)s%10)c%10nsnc9%10)s8)s7)cc6F)cc5CC(CC)CCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC.

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

The InChIKey is CKYQDUNLUHVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H166F6N8O4S17/c1-11-19-25-29-33-37-41-45-49-53-77-163-139-140(164-78-54-50-46-42-38-34-30-26-20-12-2)147(178-145(139)121-71-63-109(169-121)99-87-105(151)127(115-62-60-92(10)168-115)135-131(99)155-180-159-135)123-73-65-111(171-123)101-89-107(153)129(137-133(101)157-182-161-137)117-69-75-119(174-117)143-95(81-93(17-7)57-23-15-5)83-125(176-143)97-85-104(150)98(86-103(97)149)126-84-96(82-94(18-8)58-24-16-6)144(177-126)120-76-70-118(175-120)130-108(154)90-102(134-138(130)162-183-158-134)112-66-74-124(172-112)148-142(166-80-56-52-48-44-40-36-32-28-22-14-4)141(165-79-55-51-47-43-39-35-31-27-21-13-3)146(179-148)122-72-64-110(170-122)100-88-106(152)128(136-132(100)156-181-160-136)116-68-67-114(173-116)113-61-59-91(9)167-113/h59-76,83-90,93-94H,11-58,77-82H2,1-10H3.

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

4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole has a molecular weight of 2780.13 g/mol, XLogP of 55.01, 77 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[5-[4-[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]-4-(2-ethylhexyl)thiophen-2-yl]-2,5-difluorophenyl]-3-(2-ethylhexyl)thiophen-2-yl]thiophen-2-yl]-7-[5-[3,4-didodecoxy-5-[5-[5-fluoro-4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 153302176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).