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

C31H31N — CID 58841592

IUPAC4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(C)cc3C)cc2C)cc1
InChIInChI=1S/C31H31N/c1-22-7-15-29(16-8-22)32(30-17-9-23(2)10-18-30)31-19-12-27(21-26(31)5)11-14-28-13-6-24(3)20-25(28)4/h6-21H,1-5H3/b14-11+
InChIKeyZVSZPYAEFPKBHC-SDNWHVSQSA-N
MW417.60 g/mol
LogP8.87
Rot. Bonds5

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

4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline (PubChem CID 58841592) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
PubChem CID58841592
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC Name4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(C)cc3C)cc2C)cc1
InChIInChI=1S/C31H31N/c1-22-7-15-29(16-8-22)32(30-17-9-23(2)10-18-30)31-19-12-27(21-26(31)5)11-14-28-13-6-24(3)20-25(28)4/h6-21H,1-5H3/b14-11+
InChIKeyZVSZPYAEFPKBHC-SDNWHVSQSA-N
XLogP8.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(2-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(2-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;bis(N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(3-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(3-methylphenyl)ethenyl]phenyl]aniline)
CID 162088026
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58177582
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899863
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
CID 159134998
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;vanadium;1,4-xylene
CID 158112196

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline (CID 58841592) is 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=C/c3ccc(C)cc3C)cc2C)cc1.
What is the InChIKey of 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline?
The InChIKey is ZVSZPYAEFPKBHC-SDNWHVSQSA-N. The full InChI is InChI=1S/C31H31N/c1-22-7-15-29(16-8-22)32(30-17-9-23(2)10-18-30)31-19-12-27(21-26(31)5)11-14-28-13-6-24(3)20-25(28)4/h6-21H,1-5H3/b14-11+.
What are the key properties of 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline?
4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline has a molecular weight of 417.60 g/mol, XLogP of 8.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 58841592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).