N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline

C42H43NO2 — CID 54368987

IUPACN-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline
SMILESCC=Cc1ccc(N(c2ccc(C=Cc3cc(OCCC)c(C)cc3OCCC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H43NO2/c1-5-11-33-15-22-38(23-16-33)43(40-26-20-36(21-27-40)35-12-9-8-10-13-35)39-24-17-34(18-25-39)14-19-37-31-41(44-28-6-2)32(4)30-42(37)45-29-7-3/h5,8-27,30-31H,6-7,28-29H2,1-4H3
InChIKeyURUJSYMMMSAOOU-UHFFFAOYSA-N
MW593.81 g/mol
LogP11.91
Rot. Bonds13

About N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline

N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline (PubChem CID 54368987) has the molecular formula C42H43NO2 and a molecular weight of 593.81 g/mol. Its IUPAC name is N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline.

Molecular Properties

Compound NameN-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline
PubChem CID54368987
Molecular FormulaC42H43NO2
Molecular Weight593.81 g/mol
Exact Mass593.33
IUPAC NameN-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline
SMILESCC=Cc1ccc(N(c2ccc(C=Cc3cc(OCCC)c(C)cc3OCCC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H43NO2/c1-5-11-33-15-22-38(23-16-33)43(40-26-20-36(21-27-40)35-12-9-8-10-13-35)39-24-17-34(18-25-39)14-19-37-31-41(44-28-6-2)32(4)30-42(37)45-29-7-3/h5,8-27,30-31H,6-7,28-29H2,1-4H3
InChIKeyURUJSYMMMSAOOU-UHFFFAOYSA-N
XLogP11.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline 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-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
1-ethyl-2,5-bis(3-phenylpropoxy)-4-[2-(4-prop-1-enylphenyl)ethenyl]benzene
CID 59950332
4-[(E)-2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzaldehyde
CID 101039108
1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
CID 59896216
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline?
The IUPAC name of N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline (CID 54368987) is N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline.
What is the SMILES notation for N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline?
The canonical SMILES for N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline is CC=Cc1ccc(N(c2ccc(C=Cc3cc(OCCC)c(C)cc3OCCC)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline?
The InChIKey is URUJSYMMMSAOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43NO2/c1-5-11-33-15-22-38(23-16-33)43(40-26-20-36(21-27-40)35-12-9-8-10-13-35)39-24-17-34(18-25-39)14-19-37-31-41(44-28-6-2)32(4)30-42(37)45-29-7-3/h5,8-27,30-31H,6-7,28-29H2,1-4H3.
What are the key properties of N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline?
N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline has a molecular weight of 593.81 g/mol, XLogP of 11.91, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methyl-2,5-dipropoxyphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)-4-prop-1-enylaniline is sourced from PubChem (CID 54368987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).