2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol

C52H40N2O2 — CID 175751251

IUPAC2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
SMILESOc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C52H40N2O2/c55-51-35-29-41(23-21-39-25-31-47(32-26-39)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)37-49(51)50-38-42(30-36-52(50)56)24-22-40-27-33-48(34-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38,55-56H
InChIKeyDYYLWMOVWIPJJG-UHFFFAOYSA-N
MW724.90 g/mol
LogP14.05
Rot. Bonds11

About 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol

2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol (PubChem CID 175751251) has the molecular formula C52H40N2O2 and a molecular weight of 724.90 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
PubChem CID175751251
Molecular FormulaC52H40N2O2
Molecular Weight724.90 g/mol
Exact Mass724.31
IUPAC Name2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
SMILESOc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C52H40N2O2/c55-51-35-29-41(23-21-39-25-31-47(32-26-39)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)37-49(51)50-38-42(30-36-52(50)56)24-22-40-27-33-48(34-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38,55-56H
InChIKeyDYYLWMOVWIPJJG-UHFFFAOYSA-N
XLogP14.05
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.90
LogP ≤ 514.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol?
The IUPAC name of 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol (CID 175751251) is 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol.
What is the SMILES notation for 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol?
The canonical SMILES for 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol is Oc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1O.
What is the InChIKey of 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol?
The InChIKey is DYYLWMOVWIPJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O2/c55-51-35-29-41(23-21-39-25-31-47(32-26-39)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)37-49(51)50-38-42(30-36-52(50)56)24-22-40-27-33-48(34-28-40)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-38,55-56H.
What are the key properties of 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol?
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol has a molecular weight of 724.90 g/mol, XLogP of 14.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol is sourced from PubChem (CID 175751251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).