2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol

C36H28N2O4 — CID 136677845

IUPAC2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cc(OC)ccc3O)ccc3ccccc23)c1
InChIInChI=1S/C36H28N2O4/c1-41-27-13-17-33(39)25(19-27)21-37-31-15-11-23-7-3-5-9-29(23)35(31)36-30-10-6-4-8-24(30)12-16-32(36)38-22-26-20-28(42-2)14-18-34(26)40/h3-22,39-40H,1-2H3/b37-21+,38-22+
InChIKeyYNIUTSYOVHHUGT-DITNJDIQSA-N
MW552.63 g/mol
LogP8.59
Rot. Bonds7

About 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol

2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol (PubChem CID 136677845) has the molecular formula C36H28N2O4 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
PubChem CID136677845
Molecular FormulaC36H28N2O4
Molecular Weight552.63 g/mol
Exact Mass552.20
IUPAC Name2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cc(OC)ccc3O)ccc3ccccc23)c1
InChIInChI=1S/C36H28N2O4/c1-41-27-13-17-33(39)25(19-27)21-37-31-15-11-23-7-3-5-9-29(23)35(31)36-30-10-6-4-8-24(30)12-16-32(36)38-22-26-20-28(42-2)14-18-34(26)40/h3-22,39-40H,1-2H3/b37-21+,38-22+
InChIKeyYNIUTSYOVHHUGT-DITNJDIQSA-N
XLogP8.59
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
1-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-ol
CID 136697424
2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
CID 137225743
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
4-[[1-[2-[[5-hydroxy-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-4-yl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-(4-methoxyphenyl)-1,2-dihydroacenaphthylen-5-ol
CID 155770246
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol (CID 136677845) is 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cc(OC)ccc3O)ccc3ccccc23)c1.
What is the InChIKey of 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol?
The InChIKey is YNIUTSYOVHHUGT-DITNJDIQSA-N. The full InChI is InChI=1S/C36H28N2O4/c1-41-27-13-17-33(39)25(19-27)21-37-31-15-11-23-7-3-5-9-29(23)35(31)36-30-10-6-4-8-24(30)12-16-32(36)38-22-26-20-28(42-2)14-18-34(26)40/h3-22,39-40H,1-2H3/b37-21+,38-22+.
What are the key properties of 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol?
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol has a molecular weight of 552.63 g/mol, XLogP of 8.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 136677845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).