4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

C33H27NOS — CID 20603553

IUPAC4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cs1
InChIInChI=1S/C33H27NOS/c1-35-33-24-29(25-36-33)19-18-27-14-12-26(13-15-27)16-17-28-20-22-32(23-21-28)34(30-8-4-2-5-9-30)31-10-6-3-7-11-31/h2-25H,1H3/b17-16+,19-18+
InChIKeyJOWKWRBUPWESFO-NBRVCOCJSA-N
MW485.65 g/mol
LogP9.57
Rot. Bonds8

About 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 20603553) has the molecular formula C33H27NOS and a molecular weight of 485.65 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
PubChem CID20603553
Molecular FormulaC33H27NOS
Molecular Weight485.65 g/mol
Exact Mass485.18
IUPAC Name4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cs1
InChIInChI=1S/C33H27NOS/c1-35-33-24-29(25-36-33)19-18-27-14-12-26(13-15-27)16-17-28-20-22-32(23-21-28)34(30-8-4-2-5-9-30)31-10-6-3-7-11-31/h2-25H,1H3/b17-16+,19-18+
InChIKeyJOWKWRBUPWESFO-NBRVCOCJSA-N
XLogP9.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline (CID 20603553) is 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is COc1cc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cs1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is JOWKWRBUPWESFO-NBRVCOCJSA-N. The full InChI is InChI=1S/C33H27NOS/c1-35-33-24-29(25-36-33)19-18-27-14-12-26(13-15-27)16-17-28-20-22-32(23-21-28)34(30-8-4-2-5-9-30)31-10-6-3-7-11-31/h2-25H,1H3/b17-16+,19-18+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 485.65 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-(5-methoxythiophen-3-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 20603553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).