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]-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

C146H166F4N8O4S18 — CID 153302188

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-dioctylthiophen-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-dioctylthiophen-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 153302188) has the molecular formula C146H166F4N8O4S18 and a molecular weight of 2750.18 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-dioctylthiophen-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-dioctylthiophen-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: 153302188
• Molecular Formula: C146H166F4N8O4S18
• Molecular Weight: 2750.18 g/mol
• Exact Mass: 2746.79
• 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-dioctylthiophen-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(CCCCCCCC)c6CCCCCCCC)s5)s4)c4nsnc34)s2)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C146H166F4N8O4S18/c1-9-15-21-27-33-37-41-45-51-57-85-159-137-138(160-86-58-52-46-42-38-34-28-22-16-10-2)144(175-143(137)121-79-67-105(165-121)97-89-101(147)125(115-66-64-94(8)164-115)133-129(97)151-177-155-133)123-81-69-107(167-123)99-91-103(149)127(135-131(99)153-179-157-135)117-77-72-111(170-117)113-74-83-119(172-113)141-95(61-55-49-31-25-19-13-5)96(62-56-50-32-26-20-14-6)142(174-141)120-84-75-114(173-120)112-73-78-118(171-112)128-104(150)92-100(132-136(128)158-180-154-132)108-70-82-124(168-108)146-140(162-88-60-54-48-44-40-36-30-24-18-12-4)139(161-87-59-53-47-43-39-35-29-23-17-11-3)145(176-146)122-80-68-106(166-122)98-90-102(148)126(134-130(98)152-178-156-134)116-76-71-110(169-116)109-65-63-93(7)163-109/h63-84,89-92H,9-62,85-88H2,1-8H3
• InChIKey: ZQRFPSRNVDPORC-UHFFFAOYSA-N
• XLogP: 55.08
• TPSA: 140.04 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 79
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.18
LogP ≤ 5	55.08
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-dioctylthiophen-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-dioctylthiophen-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 153302188) 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-dioctylthiophen-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-dioctylthiophen-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-dioctylthiophen-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(CCCCCCCC)c6CCCCCCCC)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-dioctylthiophen-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 ZQRFPSRNVDPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H166F4N8O4S18/c1-9-15-21-27-33-37-41-45-51-57-85-159-137-138(160-86-58-52-46-42-38-34-28-22-16-10-2)144(175-143(137)121-79-67-105(165-121)97-89-101(147)125(115-66-64-94(8)164-115)133-129(97)151-177-155-133)123-81-69-107(167-123)99-91-103(149)127(135-131(99)153-179-157-135)117-77-72-111(170-117)113-74-83-119(172-113)141-95(61-55-49-31-25-19-13-5)96(62-56-50-32-26-20-14-6)142(174-141)120-84-75-114(173-120)112-73-78-118(171-112)128-104(150)92-100(132-136(128)158-180-154-132)108-70-82-124(168-108)146-140(162-88-60-54-48-44-40-36-30-24-18-12-4)139(161-87-59-53-47-43-39-35-29-23-17-11-3)145(176-146)122-80-68-106(166-122)98-90-102(148)126(134-130(98)152-178-156-134)116-76-71-110(169-116)109-65-63-93(7)163-109/h63-84,89-92H,9-62,85-88H2,1-8H3.

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-dioctylthiophen-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-dioctylthiophen-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 2750.18 g/mol, XLogP of 55.08, 79 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-dioctylthiophen-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 153302188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).