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

C48H40N2 — CID 59920498

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

4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline (PubChem CID 59920498) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
• PubChem CID: 59920498
• Molecular Formula: C48H40N2
• Molecular Weight: 644.86 g/mol
• Exact Mass: 644.32
• IUPAC Name: 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C48H40N2/c1-37-17-29-45(30-18-37)50(46-31-19-38(2)20-32-46)48-35-25-40(26-36-48)22-28-42-12-10-9-11-41(42)27-21-39-23-33-47(34-24-39)49(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-36H,1-2H3
• InChIKey: YLTOJEYLYFBUER-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.86
LogP ≤ 5	13.58
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 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline?

The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline (CID 59920498) is 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline.

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

The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

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

The InChIKey is YLTOJEYLYFBUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-37-17-29-45(30-18-37)50(46-31-19-38(2)20-32-46)48-35-25-40(26-36-48)22-28-42-12-10-9-11-41(42)27-21-39-23-33-47(34-24-39)49(43-13-5-3-6-14-43)44-15-7-4-8-16-44/h3-36H,1-2H3.

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

4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline has a molecular weight of 644.86 g/mol, XLogP of 13.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 59920498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).