3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene

C96H146S8 — CID 102479833

About 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene

3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene (PubChem CID 102479833) has the molecular formula C96H146S8 and a molecular weight of 1556.76 g/mol. Its IUPAC name is 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene.

Molecular Properties

• Compound Name: 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
• PubChem CID: 102479833
• Molecular Formula: C96H146S8
• Molecular Weight: 1556.76 g/mol
• Exact Mass: 1554.92
• IUPAC Name: 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
• SMILES: CCCCCCCCc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sccc8CCCCCCCC)cc7CCCCCCCC)cc6CCCCCCCC)cc5CCCCCCCC)cc4CCCCCCCC)cc3CCCCCCCC)cc2CCCCCCCC)c1
• InChI: InChI=1S/C96H146S8/c1-9-17-25-33-41-49-57-75-67-83(98-74-75)91-77(59-51-43-35-27-19-11-3)69-85(100-91)93-79(61-53-45-37-29-21-13-5)71-87(102-93)95-81(63-55-47-39-31-23-15-7)73-89(104-95)96-82(64-56-48-40-32-24-16-8)72-88(103-96)94-80(62-54-46-38-30-22-14-6)70-86(101-94)92-78(60-52-44-36-28-20-12-4)68-84(99-92)90-76(65-66-97-90)58-50-42-34-26-18-10-2/h65-74H,9-64H2,1-8H3
• InChIKey: NCMOFBYKXLRUKH-UHFFFAOYSA-N
• XLogP: 37.07
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 63
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.76
LogP ≤ 5	37.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene?

The IUPAC name of 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene (CID 102479833) is 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene.

What is the SMILES notation for 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene?

The canonical SMILES for 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene is CCCCCCCCc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sccc8CCCCCCCC)cc7CCCCCCCC)cc6CCCCCCCC)cc5CCCCCCCC)cc4CCCCCCCC)cc3CCCCCCCC)cc2CCCCCCCC)c1.

What is the InChIKey of 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene?

The InChIKey is NCMOFBYKXLRUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H146S8/c1-9-17-25-33-41-49-57-75-67-83(98-74-75)91-77(59-51-43-35-27-19-11-3)69-85(100-91)93-79(61-53-45-37-29-21-13-5)71-87(102-93)95-81(63-55-47-39-31-23-15-7)73-89(104-95)96-82(64-56-48-40-32-24-16-8)72-88(103-96)94-80(62-54-46-38-30-22-14-6)70-86(101-94)92-78(60-52-44-36-28-20-12-4)68-84(99-92)90-76(65-66-97-90)58-50-42-34-26-18-10-2/h65-74H,9-64H2,1-8H3.

What are the key properties of 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene?

3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene has a molecular weight of 1556.76 g/mol, XLogP of 37.07, 63 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene is sourced from PubChem (CID 102479833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).