4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline

C76H76N2O2Se2 — CID 171356106

About 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 171356106) has the molecular formula C76H76N2O2Se2 and a molecular weight of 1207.38 g/mol. Its IUPAC name is 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
• PubChem CID: 171356106
• Molecular Formula: C76H76N2O2Se2
• Molecular Weight: 1207.38 g/mol
• Exact Mass: 1208.42
• IUPAC Name: 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
• SMILES: CN(C)c1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc(OCCCCCC[Se][Se]CCCCCCOc4ccc(/C=C/c5c6ccccc6c(/C=C/c6ccc(N(C)C)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C76H76N2O2Se2/c1-77(2)61-41-29-57(30-42-61)37-49-73-65-21-9-13-25-69(65)75(70-26-14-10-22-66(70)73)51-39-59-33-45-63(46-34-59)79-53-17-5-7-19-55-81-82-56-20-8-6-18-54-80-64-47-35-60(36-48-64)40-52-76-71-27-15-11-23-67(71)74(68-24-12-16-28-72(68)76)50-38-58-31-43-62(44-32-58)78(3)4/h9-16,21-52H,5-8,17-20,53-56H2,1-4H3/b49-37+,50-38+,51-39+,52-40+
• InChIKey: RWGMFLBVBZCLJS-LOQXFFAMSA-N
• XLogP: 19.85
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 27
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.38
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline?

The IUPAC name of 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline (CID 171356106) is 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline?

The canonical SMILES for 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc(OCCCCCC[Se][Se]CCCCCCOc4ccc(/C=C/c5c6ccccc6c(/C=C/c6ccc(N(C)C)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.

What is the InChIKey of 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline?

The InChIKey is RWGMFLBVBZCLJS-LOQXFFAMSA-N. The full InChI is InChI=1S/C76H76N2O2Se2/c1-77(2)61-41-29-57(30-42-61)37-49-73-65-21-9-13-25-69(65)75(70-26-14-10-22-66(70)73)51-39-59-33-45-63(46-34-59)79-53-17-5-7-19-55-81-82-56-20-8-6-18-54-80-64-47-35-60(36-48-64)40-52-76-71-27-15-11-23-67(71)74(68-24-12-16-28-72(68)76)50-38-58-31-43-62(44-32-58)78(3)4/h9-16,21-52H,5-8,17-20,53-56H2,1-4H3/b49-37+,50-38+,51-39+,52-40+.

What are the key properties of 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline?

4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 1207.38 g/mol, XLogP of 19.85, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 171356106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).