About 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 4545567) has the molecular formula C34H24N2O3
and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol.
Molecular Properties
| Compound Name | 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol |
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| PubChem CID | 4545567 |
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| Molecular Formula | C34H24N2O3 |
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| Molecular Weight | 508.58 g/mol |
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| Exact Mass | 508.18 |
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| IUPAC Name | 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol |
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| SMILES | Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1 |
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| InChI | InChI=1S/C34H24N2O3/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)39-28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H/b35-21+,36-22+ |
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| InChIKey | VDYXNGWHDBGZLU-JTOYJDTJSA-N |
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| XLogP | 8.70 |
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| TPSA | 74.41 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 508.58 |
| LogP ≤ 5 | 8.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol (CID 4545567) is 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is VDYXNGWHDBGZLU-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H24N2O3/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)39-28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H/b35-21+,36-22+.
What are the key properties of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol?
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 508.58 g/mol, XLogP of 8.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).