4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol

C36H26O2S2 — CID 70593978

IUPAC4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
SMILESOc1ccc(Sc2ccccc2-c2cccc(-c3ccccc3)c2-c2ccccc2Sc2ccc(O)cc2)cc1
InChIInChI=1S/C36H26O2S2/c37-26-17-21-28(22-18-26)39-34-15-6-4-11-31(34)32-14-8-13-30(25-9-2-1-3-10-25)36(32)33-12-5-7-16-35(33)40-29-23-19-27(38)20-24-29/h1-24,37-38H
InChIKeyCSKPZHDJHQKKFA-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.40
Rot. Bonds7

About 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol

4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol (PubChem CID 70593978) has the molecular formula C36H26O2S2 and a molecular weight of 554.74 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
PubChem CID70593978
Molecular FormulaC36H26O2S2
Molecular Weight554.74 g/mol
Exact Mass554.14
IUPAC Name4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
SMILESOc1ccc(Sc2ccccc2-c2cccc(-c3ccccc3)c2-c2ccccc2Sc2ccc(O)cc2)cc1
InChIInChI=1S/C36H26O2S2/c37-26-17-21-28(22-18-26)39-34-15-6-4-11-31(34)32-14-8-13-30(25-9-2-1-3-10-25)36(32)33-12-5-7-16-35(33)40-29-23-19-27(38)20-24-29/h1-24,37-38H
InChIKeyCSKPZHDJHQKKFA-UHFFFAOYSA-N
XLogP10.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol 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-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol?
The IUPAC name of 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol (CID 70593978) is 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol is Oc1ccc(Sc2ccccc2-c2cccc(-c3ccccc3)c2-c2ccccc2Sc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol?
The InChIKey is CSKPZHDJHQKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O2S2/c37-26-17-21-28(22-18-26)39-34-15-6-4-11-31(34)32-14-8-13-30(25-9-2-1-3-10-25)36(32)33-12-5-7-16-35(33)40-29-23-19-27(38)20-24-29/h1-24,37-38H.
What are the key properties of 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol?
4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol has a molecular weight of 554.74 g/mol, XLogP of 10.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol is sourced from PubChem (CID 70593978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).