4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol

C36H26O3 — CID 176656433

IUPAC4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol
SMILESOc1cc(-c2ccccc2)c(Oc2c(-c3ccccc3)cc(O)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C36H26O3/c37-29-21-31(25-13-5-1-6-14-25)35(32(22-29)26-15-7-2-8-16-26)39-36-33(27-17-9-3-10-18-27)23-30(38)24-34(36)28-19-11-4-12-20-28/h1-24,37-38H
InChIKeyCDKTYEDMWPLGFV-UHFFFAOYSA-N
MW506.60 g/mol
LogP9.56
Rot. Bonds6

About 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol

4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol (PubChem CID 176656433) has the molecular formula C36H26O3 and a molecular weight of 506.60 g/mol. Its IUPAC name is 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol
PubChem CID176656433
Molecular FormulaC36H26O3
Molecular Weight506.60 g/mol
Exact Mass506.19
IUPAC Name4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol
SMILESOc1cc(-c2ccccc2)c(Oc2c(-c3ccccc3)cc(O)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C36H26O3/c37-29-21-31(25-13-5-1-6-14-25)35(32(22-29)26-15-7-2-8-16-26)39-36-33(27-17-9-3-10-18-27)23-30(38)24-34(36)28-19-11-4-12-20-28/h1-24,37-38H
InChIKeyCDKTYEDMWPLGFV-UHFFFAOYSA-N
XLogP9.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 59.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diphenylphenol;sulfane
CID 172728711
1-methyl-4-phenylindazol-6-ol
CID 162529467
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747
4-hydroxy-2-phenylbenzenesulfonamide
CID 141283170
bis(4-hydroxy-2-phenylphenoxy)borinic acid
CID 139941663
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
2,4-diphenylquinolin-7-ol
CID 137317331
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
4-hydroxy-2-phenylbenzonitrile
CID 66882443
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
benzene;1,1'-biphenyl;phenol
CID 159528072
4-phenyl-3-silylphenol
CID 137329798

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol?
The IUPAC name of 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol (CID 176656433) is 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol?
The canonical SMILES for 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol is Oc1cc(-c2ccccc2)c(Oc2c(-c3ccccc3)cc(O)cc2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol?
The InChIKey is CDKTYEDMWPLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O3/c37-29-21-31(25-13-5-1-6-14-25)35(32(22-29)26-15-7-2-8-16-26)39-36-33(27-17-9-3-10-18-27)23-30(38)24-34(36)28-19-11-4-12-20-28/h1-24,37-38H.
What are the key properties of 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol?
4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol has a molecular weight of 506.60 g/mol, XLogP of 9.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,6-diphenylphenoxy)-3,5-diphenylphenol is sourced from PubChem (CID 176656433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).