4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol

C59H43NO2 — CID 144827319

IUPAC4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol
SMILESOc1ccc(C(/C=C\c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C/CNc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1-c1ccccc1
InChIInChI=1S/C59H43NO2/c61-57-35-31-51(39-55(57)50-11-5-2-6-12-50)49(37-38-60-53-33-29-48(30-34-53)52-32-36-59-56(40-52)54-13-7-8-14-58(54)62-59)20-17-41-15-18-43(19-16-41)45-25-27-47(28-26-45)46-23-21-44(22-24-46)42-9-3-1-4-10-42/h1-37,39-40,60-61H,38H2/b20-17-,49-37+
InChIKeyIMZHTOSEPMLSQE-FSOCDSSGSA-N
MW798.00 g/mol
LogP15.84
Rot. Bonds11

About 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol

4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol (PubChem CID 144827319) has the molecular formula C59H43NO2 and a molecular weight of 798.00 g/mol. Its IUPAC name is 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol
PubChem CID144827319
Molecular FormulaC59H43NO2
Molecular Weight798.00 g/mol
Exact Mass797.33
IUPAC Name4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol
SMILESOc1ccc(C(/C=C\c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C/CNc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1-c1ccccc1
InChIInChI=1S/C59H43NO2/c61-57-35-31-51(39-55(57)50-11-5-2-6-12-50)49(37-38-60-53-33-29-48(30-34-53)52-32-36-59-56(40-52)54-13-7-8-14-58(54)62-59)20-17-41-15-18-43(19-16-41)45-25-27-47(28-26-45)46-23-21-44(22-24-46)42-9-3-1-4-10-42/h1-37,39-40,60-61H,38H2/b20-17-,49-37+
InChIKeyIMZHTOSEPMLSQE-FSOCDSSGSA-N
XLogP15.84
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 515.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol 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

2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol
CID 174167607
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran
CID 166957366
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
CID 167403647
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol?
The IUPAC name of 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol (CID 144827319) is 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol.
What is the SMILES notation for 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol?
The canonical SMILES for 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol is Oc1ccc(C(/C=C\c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)=C/CNc2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol?
The InChIKey is IMZHTOSEPMLSQE-FSOCDSSGSA-N. The full InChI is InChI=1S/C59H43NO2/c61-57-35-31-51(39-55(57)50-11-5-2-6-12-50)49(37-38-60-53-33-29-48(30-34-53)52-32-36-59-56(40-52)54-13-7-8-14-58(54)62-59)20-17-41-15-18-43(19-16-41)45-25-27-47(28-26-45)46-23-21-44(22-24-46)42-9-3-1-4-10-42/h1-37,39-40,60-61H,38H2/b20-17-,49-37+.
What are the key properties of 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol?
4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol has a molecular weight of 798.00 g/mol, XLogP of 15.84, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol is sourced from PubChem (CID 144827319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).