N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline

C54H52N2 — CID 59920436

About N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline

N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline (PubChem CID 59920436) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
• PubChem CID: 59920436
• Molecular Formula: C54H52N2
• Molecular Weight: 729.02 g/mol
• Exact Mass: 728.41
• IUPAC Name: N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
• SMILES: Cc1ccc(N(c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccc(C)cc4C)c4ccc(C)cc4C)cc3)cc2)c2ccc(C)cc2C)c(C)c1
• InChI: InChI=1S/C54H52N2/c1-37-13-29-51(41(5)33-37)55(52-30-14-38(2)34-42(52)6)49-25-19-45(20-26-49)17-23-47-11-9-10-12-48(47)24-18-46-21-27-50(28-22-46)56(53-31-15-39(3)35-43(53)7)54-32-16-40(4)36-44(54)8/h9-36H,1-8H3
• InChIKey: JKZVGJFMEJGODX-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.02
LogP ≤ 5	15.43
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 N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline?

The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline (CID 59920436) is N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline.

What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline?

The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline is Cc1ccc(N(c2ccc(C=Cc3ccccc3C=Cc3ccc(N(c4ccc(C)cc4C)c4ccc(C)cc4C)cc3)cc2)c2ccc(C)cc2C)c(C)c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline?

The InChIKey is JKZVGJFMEJGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2/c1-37-13-29-51(41(5)33-37)55(52-30-14-38(2)34-42(52)6)49-25-19-45(20-26-49)17-23-47-11-9-10-12-48(47)24-18-46-21-27-50(28-22-46)56(53-31-15-39(3)35-43(53)7)54-32-16-40(4)36-44(54)8/h9-36H,1-8H3.

What are the key properties of N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline?

N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline has a molecular weight of 729.02 g/mol, XLogP of 15.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 59920436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).