1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone

C36H29NO2 — CID 91417911

IUPAC1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C36H29NO2/c1-26(38)29-15-21-34(22-16-29)37(35-23-17-30(18-24-35)27(2)39)33-19-13-28(14-20-33)25-36(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-25H,1-2H3
InChIKeyFVXZKDONOMLGTL-UHFFFAOYSA-N
MW507.63 g/mol
LogP9.15
Rot. Bonds8

About 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone

1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone (PubChem CID 91417911) has the molecular formula C36H29NO2 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
PubChem CID91417911
Molecular FormulaC36H29NO2
Molecular Weight507.63 g/mol
Exact Mass507.22
IUPAC Name1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C36H29NO2/c1-26(38)29-15-21-34(22-16-29)37(35-23-17-30(18-24-35)27(2)39)33-19-13-28(14-20-33)25-36(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-25H,1-2H3
InChIKeyFVXZKDONOMLGTL-UHFFFAOYSA-N
XLogP9.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 54475914
[4-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-[2-[4-[2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-ethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-ethylaniline
CID 72573965
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886

Frequently Asked Questions

What is the IUPAC name of 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone?
The IUPAC name of 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone (CID 91417911) is 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone?
The canonical SMILES for 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone is CC(=O)c1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone?
The InChIKey is FVXZKDONOMLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29NO2/c1-26(38)29-15-21-34(22-16-29)37(35-23-17-30(18-24-35)27(2)39)33-19-13-28(14-20-33)25-36(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-25H,1-2H3.
What are the key properties of 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone?
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone has a molecular weight of 507.63 g/mol, XLogP of 9.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone is sourced from PubChem (CID 91417911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).