About 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol (PubChem CID 136912130) has the molecular formula C34H20I4N2O2
and a molecular weight of 996.16 g/mol. Its IUPAC name is 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol.
Molecular Properties
| Compound Name | 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol |
|---|
| PubChem CID | 136912130 |
|---|
| Molecular Formula | C34H20I4N2O2 |
|---|
| Molecular Weight | 996.16 g/mol |
|---|
| Exact Mass | 995.77 |
|---|
| IUPAC Name | 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol |
|---|
| SMILES | Oc1c(I)cc(I)cc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(I)cc(I)c2O)ccc2ccccc12 |
|---|
| InChI | InChI=1S/C34H20I4N2O2/c35-23-13-21(33(41)27(37)15-23)17-39-29-11-9-19-5-1-3-7-25(19)31(29)32-26-8-4-2-6-20(26)10-12-30(32)40-18-22-14-24(36)16-28(38)34(22)42/h1-18,41-42H/b39-17+,40-18+ |
|---|
| InChIKey | QVJCMYFTKGKHSN-KHYZFUKWSA-N |
|---|
| XLogP | 10.99 |
|---|
| TPSA | 65.18 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 996.16 |
| LogP ≤ 5 | 10.99 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
Analyze 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The IUPAC name of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol (CID 136912130) is 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol is Oc1c(I)cc(I)cc1/C=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(I)cc(I)c2O)ccc2ccccc12.
What is the InChIKey of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
The InChIKey is QVJCMYFTKGKHSN-KHYZFUKWSA-N. The full InChI is InChI=1S/C34H20I4N2O2/c35-23-13-21(33(41)27(37)15-23)17-39-29-11-9-19-5-1-3-7-25(19)31(29)32-26-8-4-2-6-20(26)10-12-30(32)40-18-22-14-24(36)16-28(38)34(22)42/h1-18,41-42H/b39-17+,40-18+.
What are the key properties of 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol?
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol has a molecular weight of 996.16 g/mol, XLogP of 10.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol is sourced from PubChem (CID 136912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).