benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

C152H242O2S9 — CID 100989971

About benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate (PubChem CID 100989971) has the molecular formula C152H242O2S9 and a molecular weight of 2390.21 g/mol. Its IUPAC name is benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
• PubChem CID: 100989971
• Molecular Formula: C152H242O2S9
• Molecular Weight: 2390.21 g/mol
• Exact Mass: 2387.63
• IUPAC Name: benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate
• SMILES: CCCCCCCCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sc(-c9sccc9CCCCCCCCCCCC)cc8CCCCCCCCCCCC)cc7CCCCCCCCCCCC)cc6CCCCCCCCCCCC)cc5CCCCCCCCCCCC)cc4CCCCCCCCCCCC)cc3CCCCCCCCCCCC)cc2CCCCCCCCCCCC)sc1C(=O)OCc1ccccc1
• InChI: InChI=1S/C152H242O2S9/c1-10-19-28-37-46-55-64-73-82-94-105-126-114-115-155-143(126)135-116-127(106-95-83-74-65-56-47-38-29-20-11-2)144(156-135)136-117-128(107-96-84-75-66-57-48-39-30-21-12-3)145(157-136)137-118-129(108-97-85-76-67-58-49-40-31-22-13-4)146(158-137)138-119-130(109-98-86-77-68-59-50-41-32-23-14-5)147(159-138)139-120-131(110-99-87-78-69-60-51-42-33-24-15-6)148(160-139)140-121-132(111-100-88-79-70-61-52-43-34-25-16-7)149(161-140)141-122-133(112-101-89-80-71-62-53-44-35-26-17-8)150(162-141)142-123-134(113-102-90-81-72-63-54-45-36-27-18-9)151(163-142)152(153)154-124-125-103-92-91-93-104-125/h91-93,103-104,114-123H,10-90,94-102,105-113,124H2,1-9H3
• InChIKey: MYDSGNRJXYYLPX-UHFFFAOYSA-N
• XLogP: 57.10
• TPSA: 26.30 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 110
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2390.21
LogP ≤ 5	57.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?

The IUPAC name of benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate (CID 100989971) is benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate.

What is the SMILES notation for benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?

The canonical SMILES for benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate is CCCCCCCCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sc(-c9sccc9CCCCCCCCCCCC)cc8CCCCCCCCCCCC)cc7CCCCCCCCCCCC)cc6CCCCCCCCCCCC)cc5CCCCCCCCCCCC)cc4CCCCCCCCCCCC)cc3CCCCCCCCCCCC)cc2CCCCCCCCCCCC)sc1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?

The InChIKey is MYDSGNRJXYYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H242O2S9/c1-10-19-28-37-46-55-64-73-82-94-105-126-114-115-155-143(126)135-116-127(106-95-83-74-65-56-47-38-29-20-11-2)144(156-135)136-117-128(107-96-84-75-66-57-48-39-30-21-12-3)145(157-136)137-118-129(108-97-85-76-67-58-49-40-31-22-13-4)146(158-137)138-119-130(109-98-86-77-68-59-50-41-32-23-14-5)147(159-138)139-120-131(110-99-87-78-69-60-51-42-33-24-15-6)148(160-139)140-121-132(111-100-88-79-70-61-52-43-34-25-16-7)149(161-140)141-122-133(112-101-89-80-71-62-53-44-35-26-17-8)150(162-141)142-123-134(113-102-90-81-72-63-54-45-36-27-18-9)151(163-142)152(153)154-124-125-103-92-91-93-104-125/h91-93,103-104,114-123H,10-90,94-102,105-113,124H2,1-9H3.

What are the key properties of benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate?

benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate has a molecular weight of 2390.21 g/mol, XLogP of 57.10, 110 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 100989971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).