N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline

C30H29N — CID 20813136

IUPACN-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(/C=C(\c3ccccc3)c3ccc(C)cc3C)cc2)c(C)c1
InChIInChI=1S/C30H29N/c1-21-10-16-28(23(3)18-21)29(26-8-6-5-7-9-26)20-25-12-14-27(15-13-25)31-30-17-11-22(2)19-24(30)4/h5-20,31H,1-4H3/b29-20+
InChIKeyOKXNCQWGUPLWES-ZTKZIYFRSA-N
MW403.57 g/mol
LogP8.25
Rot. Bonds5

About N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline

N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline (PubChem CID 20813136) has the molecular formula C30H29N and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
PubChem CID20813136
Molecular FormulaC30H29N
Molecular Weight403.57 g/mol
Exact Mass403.23
IUPAC NameN-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(/C=C(\c3ccccc3)c3ccc(C)cc3C)cc2)c(C)c1
InChIInChI=1S/C30H29N/c1-21-10-16-28(23(3)18-21)29(26-8-6-5-7-9-26)20-25-12-14-27(15-13-25)31-30-17-11-22(2)19-24(30)4/h5-20,31H,1-4H3/b29-20+
InChIKeyOKXNCQWGUPLWES-ZTKZIYFRSA-N
XLogP8.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 58665582
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
CID 58665589
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
N-[4-[(E)-2-(2,3-dimethylphenyl)ethenyl]phenyl]-2,4-dimethylaniline
CID 20813134
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
CID 71527195
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 101290973

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline?
The IUPAC name of N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline (CID 20813136) is N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline?
The canonical SMILES for N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline is Cc1ccc(Nc2ccc(/C=C(\c3ccccc3)c3ccc(C)cc3C)cc2)c(C)c1.
What is the InChIKey of N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline?
The InChIKey is OKXNCQWGUPLWES-ZTKZIYFRSA-N. The full InChI is InChI=1S/C30H29N/c1-21-10-16-28(23(3)18-21)29(26-8-6-5-7-9-26)20-25-12-14-27(15-13-25)31-30-17-11-22(2)19-24(30)4/h5-20,31H,1-4H3/b29-20+.
What are the key properties of N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline?
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline has a molecular weight of 403.57 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 20813136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).