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]-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

C146H178F4N8O6S16 — CID 153302196

About 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]-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-[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]-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 153302196) has the molecular formula C146H178F4N8O6S16 and a molecular weight of 2730.14 g/mol. Its IUPAC name is 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]-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-[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]-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: 153302196
• Molecular Formula: C146H178F4N8O6S16
• Molecular Weight: 2730.14 g/mol
• Exact Mass: 2726.93
• IUPAC Name: 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]-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(-c6ccc(-c7c(F)cc(-c8ccc(-c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13ccc(C)s%13)s%12)c%12nsnc%11%12)s%10)c(OCCCCCCCCCCCC)c9OCCCCCCCCCCCC)s8)c8nsnc78)s6)c(OCCCCCCCCCCCC)c5OCCCCCCCCCCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C146H178F4N8O6S16/c1-9-15-21-27-33-39-45-51-57-63-87-159-135-136(160-88-64-58-52-46-40-34-28-22-16-10-2)143(174-141(135)117-81-73-107(167-117)99-93-103(147)123(113-72-70-98(8)166-113)131-127(99)151-177-155-131)119-83-75-109(169-119)101-95-105(149)125(133-129(101)153-179-157-133)115-79-85-121(172-115)145-139(163-91-67-61-55-49-43-37-31-25-19-13-5)140(164-92-68-62-56-50-44-38-32-26-20-14-6)146(176-145)122-86-80-116(173-122)126-106(150)96-102(130-134(126)158-180-154-130)110-76-84-120(170-110)144-138(162-90-66-60-54-48-42-36-30-24-18-12-4)137(161-89-65-59-53-47-41-35-29-23-17-11-3)142(175-144)118-82-74-108(168-118)100-94-104(148)124(132-128(100)152-178-156-132)114-78-77-112(171-114)111-71-69-97(7)165-111/h69-86,93-96H,9-68,87-92H2,1-8H3
• InChIKey: NZMZVGDZQOETOO-UHFFFAOYSA-N
• XLogP: 54.42
• TPSA: 158.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 87
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.14
LogP ≤ 5	54.42
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-[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]-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-[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]-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 153302196) is 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]-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-[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]-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-[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]-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(-c6ccc(-c7c(F)cc(-c8ccc(-c9sc(-c%10ccc(-c%11cc(F)c(-c%12ccc(-c%13ccc(C)s%13)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 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]-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 NZMZVGDZQOETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H178F4N8O6S16/c1-9-15-21-27-33-39-45-51-57-63-87-159-135-136(160-88-64-58-52-46-40-34-28-22-16-10-2)143(174-141(135)117-81-73-107(167-117)99-93-103(147)123(113-72-70-98(8)166-113)131-127(99)151-177-155-131)119-83-75-109(169-119)101-95-105(149)125(133-129(101)153-179-157-133)115-79-85-121(172-115)145-139(163-91-67-61-55-49-43-37-31-25-19-13-5)140(164-92-68-62-56-50-44-38-32-26-20-14-6)146(176-145)122-86-80-116(173-122)126-106(150)96-102(130-134(126)158-180-154-130)110-76-84-120(170-110)144-138(162-90-66-60-54-48-42-36-30-24-18-12-4)137(161-89-65-59-53-47-41-35-29-23-17-11-3)142(175-144)118-82-74-108(168-118)100-94-104(148)124(132-128(100)152-178-156-132)114-78-77-112(171-114)111-71-69-97(7)165-111/h69-86,93-96H,9-68,87-92H2,1-8H3.

What are the key properties of 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]-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-[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]-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 2730.14 g/mol, XLogP of 54.42, 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-[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]-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 153302196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).