4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline

C48H45NO3 — CID 122211085

IUPAC4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
SMILESCCOc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(OCC)cc4)cc3)c3ccc(/C=C/c4ccc(OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H45NO3/c1-4-50-46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)51-5-2)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)52-6-3/h7-36H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyBLNWLDWGTOCJAY-SRDSWEMOSA-N
MW683.89 g/mol
LogP12.86
Rot. Bonds15

About 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline (PubChem CID 122211085) has the molecular formula C48H45NO3 and a molecular weight of 683.89 g/mol. Its IUPAC name is 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
PubChem CID122211085
Molecular FormulaC48H45NO3
Molecular Weight683.89 g/mol
Exact Mass683.34
IUPAC Name4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
SMILESCCOc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(OCC)cc4)cc3)c3ccc(/C=C/c4ccc(OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H45NO3/c1-4-50-46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)51-5-2)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)52-6-3/h7-36H,4-6H2,1-3H3/b10-7+,11-8+,12-9+
InChIKeyBLNWLDWGTOCJAY-SRDSWEMOSA-N
XLogP12.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.89
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
4,6-dichloro-N-[4-[(E)-2-[4-(4-ethoxy-N-(4-ethoxyphenyl)anilino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-amine
CID 102288247
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
4-(N-[4-[2-[6-[2-[4-(N-(4-ethoxyphenyl)-4-methoxyanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methylanilino)benzaldehyde
CID 59905392

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline (CID 122211085) is 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline is CCOc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(OCC)cc4)cc3)c3ccc(/C=C/c4ccc(OCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline?
The InChIKey is BLNWLDWGTOCJAY-SRDSWEMOSA-N. The full InChI is InChI=1S/C48H45NO3/c1-4-50-46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)51-5-2)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)52-6-3/h7-36H,4-6H2,1-3H3/b10-7+,11-8+,12-9+.
What are the key properties of 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline?
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline has a molecular weight of 683.89 g/mol, XLogP of 12.86, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 122211085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).