4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline

C38H31N — CID 142673851

IUPAC4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H31N/c1-3-30-10-14-32(15-11-30)18-20-34-22-26-37(27-23-34)39(36-8-6-5-7-9-36)38-28-24-35(25-29-38)21-19-33-16-12-31(4-2)13-17-33/h3-29H,1-2H2
InChIKeyDGQCYNUQBSFZAM-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.78
Rot. Bonds9

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

4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline (PubChem CID 142673851) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
PubChem CID142673851
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
SMILESC=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H31N/c1-3-30-10-14-32(15-11-30)18-20-34-22-26-37(27-23-34)39(36-8-6-5-7-9-36)38-28-24-35(25-29-38)21-19-33-16-12-31(4-2)13-17-33/h3-29H,1-2H2
InChIKeyDGQCYNUQBSFZAM-UHFFFAOYSA-N
XLogP10.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.78
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-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
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
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-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
4-ethenyl-N-[4-[(4-ethenylphenyl)-phenylmethyl]phenyl]-N-phenylaniline
CID 118505157
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-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline (CID 142673851) is 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline is C=Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline?
The InChIKey is DGQCYNUQBSFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-3-30-10-14-32(15-11-30)18-20-34-22-26-37(27-23-34)39(36-8-6-5-7-9-36)38-28-24-35(25-29-38)21-19-33-16-12-31(4-2)13-17-33/h3-29H,1-2H2.
What are the key properties of 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline?
4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline has a molecular weight of 501.67 g/mol, XLogP of 10.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 142673851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).