4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol

C44H30O4S — CID 176827854

IUPAC4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol
SMILESO=S(=O)(c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C44H30O4S/c45-43-23-21-35(27-41(43)33-15-5-13-31(25-33)39-19-7-11-29-9-1-3-17-37(29)39)49(47,48)36-22-24-44(46)42(28-36)34-16-6-14-32(26-34)40-20-8-12-30-10-2-4-18-38(30)40/h1-28,45-46H
InChIKeyRZZHBBYSDSIUDG-UHFFFAOYSA-N
MW654.79 g/mol
LogP10.90
Rot. Bonds6

About 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol

4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol (PubChem CID 176827854) has the molecular formula C44H30O4S and a molecular weight of 654.79 g/mol. Its IUPAC name is 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol.

Molecular Properties

Compound Name4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol
PubChem CID176827854
Molecular FormulaC44H30O4S
Molecular Weight654.79 g/mol
Exact Mass654.19
IUPAC Name4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol
SMILESO=S(=O)(c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C44H30O4S/c45-43-23-21-35(27-41(43)33-15-5-13-31(25-33)39-19-7-11-29-9-1-3-17-37(29)39)49(47,48)36-22-24-44(46)42(28-36)34-16-6-14-32(26-34)40-20-8-12-30-10-2-4-18-38(30)40/h1-28,45-46H
InChIKeyRZZHBBYSDSIUDG-UHFFFAOYSA-N
XLogP10.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.79
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
4-[4-hydroxy-3,5-bis(4-phenylnaphthalen-1-yl)phenyl]sulfonyl-2,6-bis(4-phenylnaphthalen-1-yl)phenol
CID 176827856
2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol
CID 158408430
N,N-dimethylbenzo[e]azulene-5-sulfonamide
CID 67468891
CID 143913959
CID 143913959

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol?
The IUPAC name of 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol (CID 176827854) is 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol.
What is the SMILES notation for 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol?
The canonical SMILES for 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol is O=S(=O)(c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(O)c(-c2cccc(-c3cccc4ccccc34)c2)c1.
What is the InChIKey of 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol?
The InChIKey is RZZHBBYSDSIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O4S/c45-43-23-21-35(27-41(43)33-15-5-13-31(25-33)39-19-7-11-29-9-1-3-17-37(29)39)49(47,48)36-22-24-44(46)42(28-36)34-16-6-14-32(26-34)40-20-8-12-30-10-2-4-18-38(30)40/h1-28,45-46H.
What are the key properties of 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol?
4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol has a molecular weight of 654.79 g/mol, XLogP of 10.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol is sourced from PubChem (CID 176827854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).