1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

C34H24N2O4 — CID 136596197

IUPAC1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccccc1/N=C/c1cc2ccccc2c(-c2c(O)c(/C=N/c3ccccc3O)cc3ccccc23)c1O
InChIInChI=1S/C34H24N2O4/c37-29-15-7-5-13-27(29)35-19-23-17-21-9-1-3-11-25(21)31(33(23)39)32-26-12-4-2-10-22(26)18-24(34(32)40)20-36-28-14-6-8-16-30(28)38/h1-20,37-40H/b35-19+,36-20+
InChIKeySDMYWCYHPQOVPY-CQFWSYKGSA-N
MW524.58 g/mol
LogP7.98
Rot. Bonds5

About 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol

1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 136596197) has the molecular formula C34H24N2O4 and a molecular weight of 524.58 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
PubChem CID136596197
Molecular FormulaC34H24N2O4
Molecular Weight524.58 g/mol
Exact Mass524.17
IUPAC Name1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccccc1/N=C/c1cc2ccccc2c(-c2c(O)c(/C=N/c3ccccc3O)cc3ccccc23)c1O
InChIInChI=1S/C34H24N2O4/c37-29-15-7-5-13-27(29)35-19-23-17-21-9-1-3-11-25(21)31(33(23)39)32-26-12-4-2-10-22(26)18-24(34(32)40)20-36-28-14-6-8-16-30(28)38/h1-20,37-40H/b35-19+,36-20+
InChIKeySDMYWCYHPQOVPY-CQFWSYKGSA-N
XLogP7.98
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 57.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol
CID 3987318
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol (CID 136596197) is 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is Oc1ccccc1/N=C/c1cc2ccccc2c(-c2c(O)c(/C=N/c3ccccc3O)cc3ccccc23)c1O.
What is the InChIKey of 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is SDMYWCYHPQOVPY-CQFWSYKGSA-N. The full InChI is InChI=1S/C34H24N2O4/c37-29-15-7-5-13-27(29)35-19-23-17-21-9-1-3-11-25(21)31(33(23)39)32-26-12-4-2-10-22(26)18-24(34(32)40)20-36-28-14-6-8-16-30(28)38/h1-20,37-40H/b35-19+,36-20+.
What are the key properties of 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol?
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 524.58 g/mol, XLogP of 7.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136596197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).