1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine

C72H88N2S8 — CID 122224510

About 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine

1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine (PubChem CID 122224510) has the molecular formula C72H88N2S8 and a molecular weight of 1238.05 g/mol. Its IUPAC name is 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine.

Molecular Properties

• Compound Name: 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine
• PubChem CID: 122224510
• Molecular Formula: C72H88N2S8
• Molecular Weight: 1238.05 g/mol
• Exact Mass: 1236.47
• IUPAC Name: 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine
• SMILES: CCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(/C=N/c4ccc(/N=C/c5cc(CCCCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCCCC)s7)s6)s5)cc4)cc3CCCCCCCC)s2)s1
• InChI: InChI=1S/C72H88N2S8/c1-5-9-13-17-21-25-29-53-45-47-75-69(53)65-41-37-61(79-65)63-39-43-67(81-63)71-55(31-27-23-19-15-11-7-3)49-59(77-71)51-73-57-33-35-58(36-34-57)74-52-60-50-56(32-28-24-20-16-12-8-4)72(78-60)68-44-40-64(82-68)62-38-42-66(80-62)70-54(46-48-76-70)30-26-22-18-14-10-6-2/h33-52H,5-32H2,1-4H3/b73-51+,74-52+
• InChIKey: YSEHAMTUHAOIGS-QIVPJYKWSA-N
• XLogP: 27.29
• TPSA: 24.72 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 38
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1238.05
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine?

The IUPAC name of 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine (CID 122224510) is 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine.

What is the SMILES notation for 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine?

The canonical SMILES for 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine is CCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(/C=N/c4ccc(/N=C/c5cc(CCCCCCCC)c(-c6ccc(-c7ccc(-c8sccc8CCCCCCCC)s7)s6)s5)cc4)cc3CCCCCCCC)s2)s1.

What is the InChIKey of 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine?

The InChIKey is YSEHAMTUHAOIGS-QIVPJYKWSA-N. The full InChI is InChI=1S/C72H88N2S8/c1-5-9-13-17-21-25-29-53-45-47-75-69(53)65-41-37-61(79-65)63-39-43-67(81-63)71-55(31-27-23-19-15-11-7-3)49-59(77-71)51-73-57-33-35-58(36-34-57)74-52-60-50-56(32-28-24-20-16-12-8-4)72(78-60)68-44-40-64(82-68)62-38-42-66(80-62)70-54(46-48-76-70)30-26-22-18-14-10-6-2/h33-52H,5-32H2,1-4H3/b73-51+,74-52+.

What are the key properties of 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine?

1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine has a molecular weight of 1238.05 g/mol, XLogP of 27.29, 38 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-[4-[[4-octyl-5-[5-[5-(3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methylideneamino]phenyl]methanimine is sourced from PubChem (CID 122224510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).