3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene

C58H70S8 — CID 101128225

About 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene

3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene (PubChem CID 101128225) has the molecular formula C58H70S8 and a molecular weight of 1023.73 g/mol. Its IUPAC name is 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene.

Molecular Properties

• Compound Name: 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
• PubChem CID: 101128225
• Molecular Formula: C58H70S8
• Molecular Weight: 1023.73 g/mol
• Exact Mass: 1022.32
• IUPAC Name: 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
• SMILES: CCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(C)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1
• InChI: InChI=1S/C58H70S8/c1-7-11-15-19-23-41-35-39(5)59-55(41)49-31-27-45(61-49)47-29-33-51(63-47)57-43(25-21-17-13-9-3)37-53(65-57)54-38-44(26-22-18-14-10-4)58(66-54)52-34-30-48(64-52)46-28-32-50(62-46)56-42(36-40(6)60-56)24-20-16-12-8-2/h27-38H,7-26H2,1-6H3
• InChIKey: IPVPNMMFIVVVON-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.73
LogP ≤ 5	22.96
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-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The IUPAC name of 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene (CID 101128225) is 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene.

What is the SMILES notation for 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The canonical SMILES for 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene is CCCCCCc1cc(C)sc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sc(C)cc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1.

What is the InChIKey of 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

The InChIKey is IPVPNMMFIVVVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H70S8/c1-7-11-15-19-23-41-35-39(5)59-55(41)49-31-27-45(61-49)47-29-33-51(63-47)57-43(25-21-17-13-9-3)37-53(65-57)54-38-44(26-22-18-14-10-4)58(66-54)52-34-30-48(64-52)46-28-32-50(62-46)56-42(36-40(6)60-56)24-20-16-12-8-2/h27-38H,7-26H2,1-6H3.

What are the key properties of 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene?

3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene has a molecular weight of 1023.73 g/mol, XLogP of 22.96, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene is sourced from PubChem (CID 101128225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).