4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline

C31H31N — CID 122484978

IUPAC4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
SMILESCCC(Nc1ccc(C)cc1)c1ccc(C=C(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H31N/c1-4-31(32-29-20-12-24(3)13-21-29)28-18-14-25(15-19-28)22-30(26-8-6-5-7-9-26)27-16-10-23(2)11-17-27/h5-22,31-32H,4H2,1-3H3
InChIKeyUBKRZCPNLUIXFB-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.46
Rot. Bonds7

About 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline

4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline (PubChem CID 122484978) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
PubChem CID122484978
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC Name4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
SMILESCCC(Nc1ccc(C)cc1)c1ccc(C=C(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H31N/c1-4-31(32-29-20-12-24(3)13-21-29)28-18-14-25(15-19-28)22-30(26-8-6-5-7-9-26)27-16-10-23(2)11-17-27/h5-22,31-32H,4H2,1-3H3
InChIKeyUBKRZCPNLUIXFB-UHFFFAOYSA-N
XLogP8.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline?
The IUPAC name of 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline (CID 122484978) is 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline.
What is the SMILES notation for 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline?
The canonical SMILES for 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline is CCC(Nc1ccc(C)cc1)c1ccc(C=C(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline?
The InChIKey is UBKRZCPNLUIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-4-31(32-29-20-12-24(3)13-21-29)28-18-14-25(15-19-28)22-30(26-8-6-5-7-9-26)27-16-10-23(2)11-17-27/h5-22,31-32H,4H2,1-3H3.
What are the key properties of 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline?
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline has a molecular weight of 417.60 g/mol, XLogP of 8.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline is sourced from PubChem (CID 122484978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).