4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol

C40H30O2 — CID 139838348

IUPAC4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
SMILESCC(c1ccccc1)(c1ccc(O)c(-c2cccc3ccccc23)c1)c1ccc(O)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H30O2/c1-40(29-15-3-2-4-16-29,30-21-23-38(41)36(25-30)34-19-9-13-27-11-5-7-17-32(27)34)31-22-24-39(42)37(26-31)35-20-10-14-28-12-6-8-18-33(28)35/h2-26,41-42H,1H3
InChIKeyWFNWVESFRSDSPT-UHFFFAOYSA-N
MW542.68 g/mol
LogP10.09
Rot. Bonds5

About 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol

4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol (PubChem CID 139838348) has the molecular formula C40H30O2 and a molecular weight of 542.68 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
PubChem CID139838348
Molecular FormulaC40H30O2
Molecular Weight542.68 g/mol
Exact Mass542.22
IUPAC Name4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
SMILESCC(c1ccccc1)(c1ccc(O)c(-c2cccc3ccccc23)c1)c1ccc(O)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H30O2/c1-40(29-15-3-2-4-16-29,30-21-23-38(41)36(25-30)34-19-9-13-27-11-5-7-17-32(27)34)31-22-24-39(42)37(26-31)35-20-10-14-28-12-6-8-18-33(28)35/h2-26,41-42H,1H3
InChIKeyWFNWVESFRSDSPT-UHFFFAOYSA-N
XLogP10.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 510.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
CID 118264416
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
4-tert-butyl-2-naphthalen-1-ylbenzoic acid
CID 22306797
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
CID 176584593
3-(5-tert-butyl-2-hydroxyphenyl)-1-[3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 71141865
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2-(2-naphthalen-1-yl-4-phenylphenyl)phenol
CID 174712226
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol (CID 139838348) is 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol is CC(c1ccccc1)(c1ccc(O)c(-c2cccc3ccccc23)c1)c1ccc(O)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol?
The InChIKey is WFNWVESFRSDSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O2/c1-40(29-15-3-2-4-16-29,30-21-23-38(41)36(25-30)34-19-9-13-27-11-5-7-17-32(27)34)31-22-24-39(42)37(26-31)35-20-10-14-28-12-6-8-18-33(28)35/h2-26,41-42H,1H3.
What are the key properties of 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol?
4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol has a molecular weight of 542.68 g/mol, XLogP of 10.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol is sourced from PubChem (CID 139838348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).