4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline

C42H44N2 — CID 59935157

IUPAC4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C(=C\c2cccc(/C=C(\c3ccccc3)c3ccc(N(CC)CC)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C42H44N2/c1-5-43(6-2)39-26-22-37(23-27-39)41(35-18-11-9-12-19-35)31-33-16-15-17-34(30-33)32-42(36-20-13-10-14-21-36)38-24-28-40(29-25-38)44(7-3)8-4/h9-32H,5-8H2,1-4H3/b41-31-,42-32+
InChIKeyJMPMCJGYPNTKFX-XIZUVVSZSA-N
MW576.83 g/mol
LogP10.56
Rot. Bonds12

About 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline

4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline (PubChem CID 59935157) has the molecular formula C42H44N2 and a molecular weight of 576.83 g/mol. Its IUPAC name is 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
PubChem CID59935157
Molecular FormulaC42H44N2
Molecular Weight576.83 g/mol
Exact Mass576.35
IUPAC Name4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C(=C\c2cccc(/C=C(\c3ccccc3)c3ccc(N(CC)CC)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C42H44N2/c1-5-43(6-2)39-26-22-37(23-27-39)41(35-18-11-9-12-19-35)31-33-16-15-17-34(30-33)32-42(36-20-13-10-14-21-36)38-24-28-40(29-25-38)44(7-3)8-4/h9-32H,5-8H2,1-4H3/b41-31-,42-32+
InChIKeyJMPMCJGYPNTKFX-XIZUVVSZSA-N
XLogP10.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.83
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078
3-[(1E,3E)-4-[3-(diethylamino)phenyl]-4-phenylbuta-1,3-dienyl]-N,N-diethylaniline
CID 20761117
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-[(1E)-1-[4-(N-benzylanilino)phenyl]-4,4-diphenylbuta-1,3-dienyl]-N,N-diethylaniline
CID 144772716
CID 173126547
CID 173126547
N,N-dipropyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 59086832

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline (CID 59935157) is 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C(=C\c2cccc(/C=C(\c3ccccc3)c3ccc(N(CC)CC)cc3)c2)c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
The InChIKey is JMPMCJGYPNTKFX-XIZUVVSZSA-N. The full InChI is InChI=1S/C42H44N2/c1-5-43(6-2)39-26-22-37(23-27-39)41(35-18-11-9-12-19-35)31-33-16-15-17-34(30-33)32-42(36-20-13-10-14-21-36)38-24-28-40(29-25-38)44(7-3)8-4/h9-32H,5-8H2,1-4H3/b41-31-,42-32+.
What are the key properties of 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline?
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline has a molecular weight of 576.83 g/mol, XLogP of 10.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline is sourced from PubChem (CID 59935157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).