N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline

C59H54N2 — CID 58177556

About N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline

N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline (PubChem CID 58177556) has the molecular formula C59H54N2 and a molecular weight of 791.10 g/mol. Its IUPAC name is N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
• PubChem CID: 58177556
• Molecular Formula: C59H54N2
• Molecular Weight: 791.10 g/mol
• Exact Mass: 790.43
• IUPAC Name: N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
• SMILES: CCc1cccc(C)c1N(c1ccc(C)cc1)c1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(N(c5ccc(C)cc5)c5c(C)cccc5C)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C59H54N2/c1-7-51-13-9-12-46(6)59(51)61(55-36-16-43(3)17-37-55)57-40-28-50(29-41-57)21-19-48-24-32-53(33-25-48)52-30-22-47(23-31-52)18-20-49-26-38-56(39-27-49)60(54-34-14-42(2)15-35-54)58-44(4)10-8-11-45(58)5/h8-41H,7H2,1-6H3
• InChIKey: GQNPRGBUBIKPOI-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.10
LogP ≤ 5	16.74
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-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?

The IUPAC name of N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline (CID 58177556) is N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline.

What is the SMILES notation for N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?

The canonical SMILES for N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline is CCc1cccc(C)c1N(c1ccc(C)cc1)c1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(N(c5ccc(C)cc5)c5c(C)cccc5C)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?

The InChIKey is GQNPRGBUBIKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54N2/c1-7-51-13-9-12-46(6)59(51)61(55-36-16-43(3)17-37-55)57-40-28-50(29-41-57)21-19-48-24-32-53(33-25-48)52-30-22-47(23-31-52)18-20-49-26-38-56(39-27-49)60(54-34-14-42(2)15-35-54)58-44(4)10-8-11-45(58)5/h8-41H,7H2,1-6H3.

What are the key properties of N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?

N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline has a molecular weight of 791.10 g/mol, XLogP of 16.74, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[4-[2-[4-(N-(2-ethyl-6-methylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58177556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).