1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol

C36H28N2O2 — CID 3576819

IUPAC1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C(c1ccccc1)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C36H28N2O2/c39-33-21-19-25-11-7-9-17-29(25)31(33)23-37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-24-32-30-18-10-8-12-26(30)20-22-34(32)40/h1-24,35-36,39-40H/b37-23+,38-24+
InChIKeyXZHFWJJEJMNIAF-DNJOOXRZSA-N
MW520.63 g/mol
LogP8.42
Rot. Bonds7

About 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol

1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol (PubChem CID 3576819) has the molecular formula C36H28N2O2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
PubChem CID3576819
Molecular FormulaC36H28N2O2
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC Name1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C(c1ccccc1)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C36H28N2O2/c39-33-21-19-25-11-7-9-17-29(25)31(33)23-37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-24-32-30-18-10-8-12-26(30)20-22-34(32)40/h1-24,35-36,39-40H/b37-23+,38-24+
InChIKeyXZHFWJJEJMNIAF-DNJOOXRZSA-N
XLogP8.42
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol with MolForge

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Related Compounds

1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol (CID 3576819) is 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/C(c1ccccc1)C(/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol?
The InChIKey is XZHFWJJEJMNIAF-DNJOOXRZSA-N. The full InChI is InChI=1S/C36H28N2O2/c39-33-21-19-25-11-7-9-17-29(25)31(33)23-37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-24-32-30-18-10-8-12-26(30)20-22-34(32)40/h1-24,35-36,39-40H/b37-23+,38-24+.
What are the key properties of 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol?
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol has a molecular weight of 520.63 g/mol, XLogP of 8.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 3576819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).