3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene

C76H116S6 — CID 88869859

About 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene

3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene (PubChem CID 88869859) has the molecular formula C76H116S6 and a molecular weight of 1222.17 g/mol. Its IUPAC name is 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene.

Molecular Properties

• Compound Name: 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene
• PubChem CID: 88869859
• Molecular Formula: C76H116S6
• Molecular Weight: 1222.17 g/mol
• Exact Mass: 1220.74
• IUPAC Name: 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene
• SMILES: CCCCCCCCCCCCc1cc(-c2ccc(-c3ccc(-c4cc(CCCCCCCCCCCC)c(-c5cc(CCCCCCCCCCCC)c(/C=C/c6sc(C)cc6CCCCCCCCCCCC)s5)s4)s3)s2)sc1C
• InChI: InChI=1S/C76H116S6/c1-7-11-15-19-23-27-31-35-39-43-47-63-58-73(78-62(63)6)71-55-53-69(80-71)70-54-56-72(81-70)74-60-66(50-46-42-38-34-30-26-22-18-14-10-4)76(82-74)75-59-65(49-45-41-37-33-29-25-21-17-13-9-3)68(79-75)52-51-67-64(57-61(5)77-67)48-44-40-36-32-28-24-20-16-12-8-2/h51-60H,7-50H2,1-6H3/b52-51+
• InChIKey: FMHHELWEKQPJSB-WYYOLBRMSA-N
• XLogP: 29.36
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 50
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1222.17
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene?

The IUPAC name of 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene (CID 88869859) is 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene.

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

The canonical SMILES for 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene is CCCCCCCCCCCCc1cc(-c2ccc(-c3ccc(-c4cc(CCCCCCCCCCCC)c(-c5cc(CCCCCCCCCCCC)c(/C=C/c6sc(C)cc6CCCCCCCCCCCC)s5)s4)s3)s2)sc1C.

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

The InChIKey is FMHHELWEKQPJSB-WYYOLBRMSA-N. The full InChI is InChI=1S/C76H116S6/c1-7-11-15-19-23-27-31-35-39-43-47-63-58-73(78-62(63)6)71-55-53-69(80-71)70-54-56-72(81-70)74-60-66(50-46-42-38-34-30-26-22-18-14-10-4)76(82-74)75-59-65(49-45-41-37-33-29-25-21-17-13-9-3)68(79-75)52-51-67-64(57-61(5)77-67)48-44-40-36-32-28-24-20-16-12-8-2/h51-60H,7-50H2,1-6H3/b52-51+.

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

3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene has a molecular weight of 1222.17 g/mol, XLogP of 29.36, 50 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene is sourced from PubChem (CID 88869859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).