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-didodecylthiophen-2-yl]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

C154H182F4N8O4S18 — CID 153302193

About 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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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 153302193) has the molecular formula C154H182F4N8O4S18 and a molecular weight of 2862.40 g/mol. Its IUPAC name is 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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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: 153302193
• Molecular Formula: C154H182F4N8O4S18
• Molecular Weight: 2862.40 g/mol
• Exact Mass: 2858.92
• IUPAC Name: 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-didodecylthiophen-2-yl]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(-c5ccc(-c6sc(-c7ccc(-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)c(CCCCCCCCCCCC)c6CCCCCCCCCCCC)s5)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C154H182F4N8O4S18/c1-9-15-21-27-33-39-45-51-57-63-69-103-104(70-64-58-52-46-40-34-28-22-16-10-2)150(182-149(103)127-91-82-121(180-127)119-80-85-125(178-119)135-111(157)99-107(139-143(135)165-187-161-139)115-77-89-131(175-115)152-146(168-94-66-60-54-48-42-36-30-24-18-12-4)145(167-93-65-59-53-47-41-35-29-23-17-11-3)151(183-152)129-87-75-113(173-129)105-97-109(155)133(123-74-72-102(8)172-123)141-137(105)159-185-163-141)128-92-83-122(181-128)120-81-86-126(179-120)136-112(158)100-108(140-144(136)166-188-162-140)116-78-90-132(176-116)154-148(170-96-68-62-56-50-44-38-32-26-20-14-6)147(169-95-67-61-55-49-43-37-31-25-19-13-5)153(184-154)130-88-76-114(174-130)106-98-110(156)134(142-138(106)160-186-164-142)124-84-79-118(177-124)117-73-71-101(7)171-117/h71-92,97-100H,9-70,93-96H2,1-8H3
• InChIKey: TUAHGLQRMSHQRS-UHFFFAOYSA-N
• XLogP: 58.20
• TPSA: 140.04 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 87
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2862.40
LogP ≤ 5	58.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-[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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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 153302193) is 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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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(-c5ccc(-c6sc(-c7ccc(-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)c(CCCCCCCCCCCC)c6CCCCCCCCCCCC)s5)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC.

What is the InChIKey of 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-didodecylthiophen-2-yl]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 TUAHGLQRMSHQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H182F4N8O4S18/c1-9-15-21-27-33-39-45-51-57-63-69-103-104(70-64-58-52-46-40-34-28-22-16-10-2)150(182-149(103)127-91-82-121(180-127)119-80-85-125(178-119)135-111(157)99-107(139-143(135)165-187-161-139)115-77-89-131(175-115)152-146(168-94-66-60-54-48-42-36-30-24-18-12-4)145(167-93-65-59-53-47-41-35-29-23-17-11-3)151(183-152)129-87-75-113(173-129)105-97-109(155)133(123-74-72-102(8)172-123)141-137(105)159-185-163-141)128-92-83-122(181-128)120-81-86-126(179-120)136-112(158)100-108(140-144(136)166-188-162-140)116-78-90-132(176-116)154-148(170-96-68-62-56-50-44-38-32-26-20-14-6)147(169-95-67-61-55-49-43-37-31-25-19-13-5)153(184-154)130-88-76-114(174-130)106-98-110(156)134(142-138(106)160-186-164-142)124-84-79-118(177-124)117-73-71-101(7)171-117/h71-92,97-100H,9-70,93-96H2,1-8H3.

What are the key properties of 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-didodecylthiophen-2-yl]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-[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-didodecylthiophen-2-yl]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 2862.40 g/mol, XLogP of 58.20, 87 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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-didodecylthiophen-2-yl]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 153302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).