4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline

C29H27N — CID 58665582

IUPAC4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
SMILESCc1ccc(C(=Cc2ccc(Nc3ccccc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C29H27N/c1-21-9-14-25(15-10-21)29(26-16-11-22(2)23(3)19-26)20-24-12-17-28(18-13-24)30-27-7-5-4-6-8-27/h4-20,30H,1-3H3
InChIKeyILEZGBSXUXKBKV-UHFFFAOYSA-N
MW389.54 g/mol
LogP7.94
Rot. Bonds5

About 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline

4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline (PubChem CID 58665582) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
PubChem CID58665582
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
SMILESCc1ccc(C(=Cc2ccc(Nc3ccccc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C29H27N/c1-21-9-14-25(15-10-21)29(26-16-11-22(2)23(3)19-26)20-24-12-17-28(18-13-24)30-27-7-5-4-6-8-27/h4-20,30H,1-3H3
InChIKeyILEZGBSXUXKBKV-UHFFFAOYSA-N
XLogP7.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
CID 58665589
N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
CID 122484933
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
CID 163829101
N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
CID 90960262
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline (CID 58665582) is 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline is Cc1ccc(C(=Cc2ccc(Nc3ccccc3)cc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The InChIKey is ILEZGBSXUXKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-21-9-14-25(15-10-21)29(26-16-11-22(2)23(3)19-26)20-24-12-17-28(18-13-24)30-27-7-5-4-6-8-27/h4-20,30H,1-3H3.
What are the key properties of 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline?
4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline has a molecular weight of 389.54 g/mol, XLogP of 7.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline is sourced from PubChem (CID 58665582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).