N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C53H49N — CID 59366099

About N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59366099) has the molecular formula C53H49N and a molecular weight of 699.98 g/mol. Its IUPAC name is N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• PubChem CID: 59366099
• Molecular Formula: C53H49N
• Molecular Weight: 699.98 g/mol
• Exact Mass: 699.39
• IUPAC Name: N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3cc(C)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C)cc2)cc1
• InChI: InChI=1S/C53H49N/c1-37-7-21-45(22-8-37)53(46-23-9-38(2)10-24-46)47-25-15-43(16-26-47)17-27-48-35-42(6)49(36-41(48)5)28-18-44-19-33-52(34-20-44)54(50-29-11-39(3)12-30-50)51-31-13-40(4)14-32-51/h7-36,53H,1-6H3
• InChIKey: BTKURXOBJCDPCZ-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.98
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The IUPAC name of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59366099) is N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

What is the SMILES notation for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The canonical SMILES for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3cc(C)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C)cc2)cc1.

What is the InChIKey of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

The InChIKey is BTKURXOBJCDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N/c1-37-7-21-45(22-8-37)53(46-23-9-38(2)10-24-46)47-25-15-43(16-26-47)17-27-48-35-42(6)49(36-41(48)5)28-18-44-19-33-52(34-20-44)54(50-29-11-39(3)12-30-50)51-31-13-40(4)14-32-51/h7-36,53H,1-6H3.

What are the key properties of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?

N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 699.98 g/mol, XLogP of 14.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59366099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).