2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

C50H44N2 — CID 59366113

About 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline

2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 59366113) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 59366113
• Molecular Formula: C50H44N2
• Molecular Weight: 672.92 g/mol
• Exact Mass: 672.35
• IUPAC Name: 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccc(C)cc4)c4ccccc4C)cc3)cc2)c2ccccc2C)cc1
• InChI: InChI=1S/C50H44N2/c1-37-17-29-45(30-18-37)51(49-15-9-5-11-39(49)3)47-33-23-41(24-34-47)21-27-43-13-7-8-14-44(43)28-22-42-25-35-48(36-26-42)52(46-31-19-38(2)20-32-46)50-16-10-6-12-40(50)4/h5-36H,1-4H3
• InChIKey: YNJXYDIOLYPGJI-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.92
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline (CID 59366113) is 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccc(C)cc4)c4ccccc4C)cc3)cc2)c2ccccc2C)cc1.

What is the InChIKey of 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is YNJXYDIOLYPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-37-17-29-45(30-18-37)51(49-15-9-5-11-39(49)3)47-33-23-41(24-34-47)21-27-43-13-7-8-14-44(43)28-22-42-25-35-48(36-26-42)52(46-31-19-38(2)20-32-46)50-16-10-6-12-40(50)4/h5-36H,1-4H3.

What are the key properties of 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline?

2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 672.92 g/mol, XLogP of 14.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59366113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).