4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline

C31H32N4O — CID 71461086

About 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 71461086) has the molecular formula C31H32N4O and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline
• PubChem CID: 71461086
• Molecular Formula: C31H32N4O
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.26
• IUPAC Name: 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline
• SMILES: COc1ccc(-c2cc(/C=C/c3ccc(N(C)C)cc3)nnc2/C=C/c2ccc(N(C)C)cc2)cc1
• InChI: InChI=1S/C31H32N4O/c1-34(2)27-15-7-23(8-16-27)6-14-26-22-30(25-12-19-29(36-5)20-13-25)31(33-32-26)21-11-24-9-17-28(18-10-24)35(3)4/h6-22H,1-5H3/b14-6+,21-11+
• InChIKey: AKVNKADOOBWLCG-SQTOABILSA-N
• XLogP: 6.62
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline?

The IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline (CID 71461086) is 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline?

The canonical SMILES for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline is COc1ccc(-c2cc(/C=C/c3ccc(N(C)C)cc3)nnc2/C=C/c2ccc(N(C)C)cc2)cc1.

What is the InChIKey of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline?

The InChIKey is AKVNKADOOBWLCG-SQTOABILSA-N. The full InChI is InChI=1S/C31H32N4O/c1-34(2)27-15-7-23(8-16-27)6-14-26-22-30(25-12-19-29(36-5)20-13-25)31(33-32-26)21-11-24-9-17-28(18-10-24)35(3)4/h6-22H,1-5H3/b14-6+,21-11+.

What are the key properties of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline?

4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 476.62 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 71461086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).