1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone

C50H40N2O2 — CID 44557812

IUPAC1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
SMILESCC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)=O)cc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2O2/c1-37(53)49-35-42(30-24-40-27-33-48(34-28-40)52(45-19-11-5-12-20-45)46-21-13-6-14-22-46)50(38(2)54)36-41(49)29-23-39-25-31-47(32-26-39)51(43-15-7-3-8-16-43)44-17-9-4-10-18-44/h3-36H,1-2H3/b29-23+,30-24+
InChIKeyBCBCZKHSPZUVOV-HCTXVGCHSA-N
MW700.88 g/mol
LogP13.37
Rot. Bonds12

About 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone

1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone (PubChem CID 44557812) has the molecular formula C50H40N2O2 and a molecular weight of 700.88 g/mol. Its IUPAC name is 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
PubChem CID44557812
Molecular FormulaC50H40N2O2
Molecular Weight700.88 g/mol
Exact Mass700.31
IUPAC Name1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
SMILESCC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)=O)cc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H40N2O2/c1-37(53)49-35-42(30-24-40-27-33-48(34-28-40)52(45-19-11-5-12-20-45)46-21-13-6-14-22-46)50(38(2)54)36-41(49)29-23-39-25-31-47(32-26-39)51(43-15-7-3-8-16-43)44-17-9-4-10-18-44/h3-36H,1-2H3/b29-23+,30-24+
InChIKeyBCBCZKHSPZUVOV-HCTXVGCHSA-N
XLogP13.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
CID 175751251
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone (CID 44557812) is 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone is CC(=O)c1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)=O)cc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone?
The InChIKey is BCBCZKHSPZUVOV-HCTXVGCHSA-N. The full InChI is InChI=1S/C50H40N2O2/c1-37(53)49-35-42(30-24-40-27-33-48(34-28-40)52(45-19-11-5-12-20-45)46-21-13-6-14-22-46)50(38(2)54)36-41(49)29-23-39-25-31-47(32-26-39)51(43-15-7-3-8-16-43)44-17-9-4-10-18-44/h3-36H,1-2H3/b29-23+,30-24+.
What are the key properties of 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone?
1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone has a molecular weight of 700.88 g/mol, XLogP of 13.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone is sourced from PubChem (CID 44557812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).