4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline

C34H27N — CID 142226896

IUPAC4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
SMILESC=Cc1ccc(-c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C34H27N/c1-2-27-15-21-30(22-16-27)31-23-17-28(18-24-31)13-14-29-19-25-34(26-20-29)35(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h2-26H,1H2
InChIKeyJXLJBMIZXXPUKB-UHFFFAOYSA-N
MW449.60 g/mol
LogP9.64
Rot. Bonds7

About 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline

4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 142226896) has the molecular formula C34H27N and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
PubChem CID142226896
Molecular FormulaC34H27N
Molecular Weight449.60 g/mol
Exact Mass449.21
IUPAC Name4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
SMILESC=Cc1ccc(-c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C34H27N/c1-2-27-15-21-30(22-16-27)31-23-17-28(18-24-31)13-14-29-19-25-34(26-20-29)35(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h2-26H,1H2
InChIKeyJXLJBMIZXXPUKB-UHFFFAOYSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 59.64
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-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline (CID 142226896) is 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline is C=Cc1ccc(-c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is JXLJBMIZXXPUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N/c1-2-27-15-21-30(22-16-27)31-23-17-28(18-24-31)13-14-29-19-25-34(26-20-29)35(32-9-5-3-6-10-32)33-11-7-4-8-12-33/h2-26H,1H2.
What are the key properties of 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline?
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 449.60 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 142226896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).