3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline

C56H56N2 — CID 22899812

About 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline

3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline (PubChem CID 22899812) has the molecular formula C56H56N2 and a molecular weight of 757.08 g/mol. Its IUPAC name is 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline.

Molecular Properties

• Compound Name: 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
• PubChem CID: 22899812
• Molecular Formula: C56H56N2
• Molecular Weight: 757.08 g/mol
• Exact Mass: 756.44
• IUPAC Name: 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
• SMILES: Cc1cccc(N(c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(c5cccc(C)c5)c5cc(C)c(C)c(C)c5)cc4C)c3)c(C)c2)c2cc(C)c(C)c(C)c2)c1
• InChI: InChI=1S/C56H56N2/c1-37-14-11-18-51(28-37)57(55-30-39(3)45(9)40(4)31-55)53-26-24-49(43(7)34-53)22-20-47-16-13-17-48(36-47)21-23-50-25-27-54(35-44(50)8)58(52-19-12-15-38(2)29-52)56-32-41(5)46(10)42(6)33-56/h11-36H,1-10H3/b22-20+,23-21+
• InChIKey: IOMDEBFOYIXBMD-DQPVQCHKSA-N
• XLogP: 16.05
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.08
LogP ≤ 5	16.05
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 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?

The IUPAC name of 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline (CID 22899812) is 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline.

What is the SMILES notation for 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?

The canonical SMILES for 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline is Cc1cccc(N(c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(c5cccc(C)c5)c5cc(C)c(C)c(C)c5)cc4C)c3)c(C)c2)c2cc(C)c(C)c(C)c2)c1.

What is the InChIKey of 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?

The InChIKey is IOMDEBFOYIXBMD-DQPVQCHKSA-N. The full InChI is InChI=1S/C56H56N2/c1-37-14-11-18-51(28-37)57(55-30-39(3)45(9)40(4)31-55)53-26-24-49(43(7)34-53)22-20-47-16-13-17-48(36-47)21-23-50-25-27-54(35-44(50)8)58(52-19-12-15-38(2)29-52)56-32-41(5)46(10)42(6)33-56/h11-36H,1-10H3/b22-20+,23-21+.

What are the key properties of 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline?

3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline has a molecular weight of 757.08 g/mol, XLogP of 16.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline is sourced from PubChem (CID 22899812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).