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-didodecylthiophen-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

C146H178F4N8O4S16 — CID 153302201

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-didodecylthiophen-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-didodecylthiophen-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 153302201) has the molecular formula C146H178F4N8O4S16 and a molecular weight of 2698.15 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-didodecylthiophen-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-didodecylthiophen-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: 153302201
• Molecular Formula: C146H178F4N8O4S16
• Molecular Weight: 2698.15 g/mol
• Exact Mass: 2694.94
• 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-didodecylthiophen-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(CCCCCCCCCCCC)c5CCCCCCCCCCCC)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C146H178F4N8O4S16/c1-9-15-21-27-33-39-45-51-57-63-69-99-100(70-64-58-52-46-40-34-28-22-16-10-2)142(172-141(99)119-87-81-117(170-119)127-107(149)95-103(131-135(127)157-177-153-131)111-77-85-123(167-111)145-138(160-90-66-60-54-48-42-36-30-24-18-12-4)137(159-89-65-59-53-47-41-35-29-23-17-11-3)143(173-145)121-83-75-109(165-121)101-93-105(147)125(115-74-72-98(8)164-115)133-129(101)151-175-155-133)120-88-82-118(171-120)128-108(150)96-104(132-136(128)158-178-154-132)112-78-86-124(168-112)146-140(162-92-68-62-56-50-44-38-32-26-20-14-6)139(161-91-67-61-55-49-43-37-31-25-19-13-5)144(174-146)122-84-76-110(166-122)102-94-106(148)126(134-130(102)152-176-156-134)116-80-79-114(169-116)113-73-71-97(7)163-113/h71-88,93-96H,9-70,89-92H2,1-8H3
• InChIKey: SYBDVCPBOFLQOZ-UHFFFAOYSA-N
• XLogP: 54.75
• TPSA: 140.04 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 85
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2698.15
LogP ≤ 5	54.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-didodecylthiophen-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-didodecylthiophen-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 153302201) 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-didodecylthiophen-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-didodecylthiophen-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-didodecylthiophen-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(CCCCCCCCCCCC)c5CCCCCCCCCCCC)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-didodecylthiophen-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 SYBDVCPBOFLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H178F4N8O4S16/c1-9-15-21-27-33-39-45-51-57-63-69-99-100(70-64-58-52-46-40-34-28-22-16-10-2)142(172-141(99)119-87-81-117(170-119)127-107(149)95-103(131-135(127)157-177-153-131)111-77-85-123(167-111)145-138(160-90-66-60-54-48-42-36-30-24-18-12-4)137(159-89-65-59-53-47-41-35-29-23-17-11-3)143(173-145)121-83-75-109(165-121)101-93-105(147)125(115-74-72-98(8)164-115)133-129(101)151-175-155-133)120-88-82-118(171-120)128-108(150)96-104(132-136(128)158-178-154-132)112-78-86-124(168-112)146-140(162-92-68-62-56-50-44-38-32-26-20-14-6)139(161-91-67-61-55-49-43-37-31-25-19-13-5)144(174-146)122-84-76-110(166-122)102-94-106(148)126(134-130(102)152-176-156-134)116-80-79-114(169-116)113-73-71-97(7)163-113/h71-88,93-96H,9-70,89-92H2,1-8H3.

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-didodecylthiophen-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-didodecylthiophen-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 2698.15 g/mol, XLogP of 54.75, 85 rotatable bonds, 0 hydrogen bond donors, and 28 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-didodecylthiophen-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 153302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).