3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline

C52H48N2 — CID 59920425

About 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline

3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline (PubChem CID 59920425) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline.

Molecular Properties

• Compound Name: 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
• PubChem CID: 59920425
• Molecular Formula: C52H48N2
• Molecular Weight: 700.97 g/mol
• Exact Mass: 700.38
• IUPAC Name: 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
• SMILES: Cc1cccc(N(c2cccc(C)c2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4C)cc3)c(C)c2)c1
• InChI: InChI=1S/C52H48N2/c1-37-11-7-15-47(31-37)53(48-16-8-12-38(2)32-48)51-29-27-45(41(5)35-51)25-23-43-19-21-44(22-20-43)24-26-46-28-30-52(36-42(46)6)54(49-17-9-13-39(3)33-49)50-18-10-14-40(4)34-50/h7-36H,1-6H3
• InChIKey: VZGAGOFPTNCKDC-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.97
LogP ≤ 5	14.82
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-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline?

The IUPAC name of 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline (CID 59920425) is 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline.

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

The canonical SMILES for 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline is Cc1cccc(N(c2cccc(C)c2)c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4C)cc3)c(C)c2)c1.

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

The InChIKey is VZGAGOFPTNCKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-37-11-7-15-47(31-37)53(48-16-8-12-38(2)32-48)51-29-27-45(41(5)35-51)25-23-43-19-21-44(22-20-43)24-26-46-28-30-52(36-42(46)6)54(49-17-9-13-39(3)33-49)50-18-10-14-40(4)34-50/h7-36H,1-6H3.

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

3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline has a molecular weight of 700.97 g/mol, XLogP of 14.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline is sourced from PubChem (CID 59920425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).