N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline

C39H39NO2 — CID 58789561

IUPACN-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline
SMILESCCOCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(COC)c(C)c2)cc1C
InChIInChI=1S/C39H39NO2/c1-5-42-28-35-19-23-38(25-30(35)3)40(37-22-18-34(27-41-4)29(2)24-37)36-20-16-31(17-21-36)26-39(32-12-8-6-9-13-32)33-14-10-7-11-15-33/h6-26H,5,27-28H2,1-4H3
InChIKeyJEYHCQRPSDDKGX-UHFFFAOYSA-N
MW553.75 g/mol
LogP10.05
Rot. Bonds11

About N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline

N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline (PubChem CID 58789561) has the molecular formula C39H39NO2 and a molecular weight of 553.75 g/mol. Its IUPAC name is N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline.

Molecular Properties

Compound NameN-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline
PubChem CID58789561
Molecular FormulaC39H39NO2
Molecular Weight553.75 g/mol
Exact Mass553.30
IUPAC NameN-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline
SMILESCCOCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(COC)c(C)c2)cc1C
InChIInChI=1S/C39H39NO2/c1-5-42-28-35-19-23-38(25-30(35)3)40(37-22-18-34(27-41-4)29(2)24-37)36-20-16-31(17-21-36)26-39(32-12-8-6-9-13-32)33-14-10-7-11-15-33/h6-26H,5,27-28H2,1-4H3
InChIKeyJEYHCQRPSDDKGX-UHFFFAOYSA-N
XLogP10.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 510.05
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

4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
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-[(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
4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
CID 163491704
[4-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline?
The IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline (CID 58789561) is N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline.
What is the SMILES notation for N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline?
The canonical SMILES for N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline is CCOCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(COC)c(C)c2)cc1C.
What is the InChIKey of N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline?
The InChIKey is JEYHCQRPSDDKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39NO2/c1-5-42-28-35-19-23-38(25-30(35)3)40(37-22-18-34(27-41-4)29(2)24-37)36-20-16-31(17-21-36)26-39(32-12-8-6-9-13-32)33-14-10-7-11-15-33/h6-26H,5,27-28H2,1-4H3.
What are the key properties of N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline?
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline has a molecular weight of 553.75 g/mol, XLogP of 10.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(ethoxymethyl)-3-methylphenyl]-4-(methoxymethyl)-3-methylaniline is sourced from PubChem (CID 58789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).