1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol

C29H21NO2 — CID 136702067

IUPAC1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C29H21NO2/c31-28-16-15-22-13-7-8-14-24(22)27(28)19-30-23-17-25(20-9-3-1-4-10-20)29(32)26(18-23)21-11-5-2-6-12-21/h1-19,31-32H/b30-19+
InChIKeyHJWWYIGVEXYRFT-NDZAJKAJSA-N
MW415.49 g/mol
LogP7.34
Rot. Bonds4

About 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol

1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 136702067) has the molecular formula C29H21NO2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID136702067
Molecular FormulaC29H21NO2
Molecular Weight415.49 g/mol
Exact Mass415.16
IUPAC Name1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C29H21NO2/c31-28-16-15-22-13-7-8-14-24(22)27(28)19-30-23-17-25(20-9-3-1-4-10-20)29(32)26(18-23)21-11-5-2-6-12-21/h1-19,31-32H/b30-19+
InChIKeyHJWWYIGVEXYRFT-NDZAJKAJSA-N
XLogP7.34
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol (CID 136702067) is 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is HJWWYIGVEXYRFT-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H21NO2/c31-28-16-15-22-13-7-8-14-24(22)27(28)19-30-23-17-25(20-9-3-1-4-10-20)29(32)26(18-23)21-11-5-2-6-12-21/h1-19,31-32H/b30-19+.
What are the key properties of 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol?
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 415.49 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136702067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).