4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol

C28H23NO2 — CID 59460181

IUPAC4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
SMILESOc1ccc(N(c2ccc(O)cc2)c2ccc(/C=C/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO2/c30-27-18-14-25(15-19-27)29(26-16-20-28(31)21-17-26)24-12-10-23(11-13-24)9-5-4-8-22-6-2-1-3-7-22/h1-21,30-31H/b8-4+,9-5+
InChIKeyJZKJIEYMYPQSDM-KBXRYBNXSA-N
MW405.50 g/mol
LogP7.29
Rot. Bonds6

About 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol

4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol (PubChem CID 59460181) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol.

Molecular Properties

Compound Name4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
PubChem CID59460181
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
SMILESOc1ccc(N(c2ccc(O)cc2)c2ccc(/C=C/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO2/c30-27-18-14-25(15-19-27)29(26-16-20-28(31)21-17-26)24-12-10-23(11-13-24)9-5-4-8-22-6-2-1-3-7-22/h1-21,30-31H/b8-4+,9-5+
InChIKeyJZKJIEYMYPQSDM-KBXRYBNXSA-N
XLogP7.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 153296835
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
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
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
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
CID 175751251

Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol?
The IUPAC name of 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol (CID 59460181) is 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol.
What is the SMILES notation for 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol?
The canonical SMILES for 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol is Oc1ccc(N(c2ccc(O)cc2)c2ccc(/C=C/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol?
The InChIKey is JZKJIEYMYPQSDM-KBXRYBNXSA-N. The full InChI is InChI=1S/C28H23NO2/c30-27-18-14-25(15-19-27)29(26-16-20-28(31)21-17-26)24-12-10-23(11-13-24)9-5-4-8-22-6-2-1-3-7-22/h1-21,30-31H/b8-4+,9-5+.
What are the key properties of 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol?
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol has a molecular weight of 405.50 g/mol, XLogP of 7.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol is sourced from PubChem (CID 59460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).