4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline

C53H46N2 — CID 123591975

IUPAC4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
SMILESCC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C=Cc3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C53H46N2/c1-41(40-44-28-38-53(39-29-44)55(50-18-10-4-11-19-50)51-20-12-5-13-21-51)45-32-34-47(35-33-45)46-30-24-42(25-31-46)22-23-43-26-36-52(37-27-43)54(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-8,10-16,18-39,41H,9,17,40H2,1H3
InChIKeyGYAPMYMSFSHYNY-UHFFFAOYSA-N
MW710.97 g/mol
LogP14.71
Rot. Bonds12

About 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline

4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline (PubChem CID 123591975) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
PubChem CID123591975
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
SMILESCC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C=Cc3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C53H46N2/c1-41(40-44-28-38-53(39-29-44)55(50-18-10-4-11-19-50)51-20-12-5-13-21-51)45-32-34-47(35-33-45)46-30-24-42(25-31-46)22-23-43-26-36-52(37-27-43)54(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-8,10-16,18-39,41H,9,17,40H2,1H3
InChIKeyGYAPMYMSFSHYNY-UHFFFAOYSA-N
XLogP14.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-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-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline (CID 123591975) is 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline is CC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C=Cc3ccc(N(C4=CC=CCC4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline?
The InChIKey is GYAPMYMSFSHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-41(40-44-28-38-53(39-29-44)55(50-18-10-4-11-19-50)51-20-12-5-13-21-51)45-32-34-47(35-33-45)46-30-24-42(25-31-46)22-23-43-26-36-52(37-27-43)54(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-8,10-16,18-39,41H,9,17,40H2,1H3.
What are the key properties of 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline?
4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline has a molecular weight of 710.97 g/mol, XLogP of 14.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline is sourced from PubChem (CID 123591975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).