About bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium
bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium (PubChem CID 155747306) has the molecular formula C60H42N6ORu
and a molecular weight of 964.11 g/mol. Its IUPAC name is bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium.
Molecular Properties
| Compound Name | bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium |
|---|
| PubChem CID | 155747306 |
|---|
| Molecular Formula | C60H42N6ORu |
|---|
| Molecular Weight | 964.11 g/mol |
|---|
| Exact Mass | 964.25 |
|---|
| IUPAC Name | bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium |
|---|
| SMILES | Cc1ccnc(-c2cc(C=O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
|---|
| InChI | InChI=1S/2C24H16N2.C12H10N2O.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;/h2*1-16H;2-8H,1H3; |
|---|
| InChIKey | ZWOATKMMOJOGJC-UHFFFAOYSA-N |
|---|
| XLogP | 14.50 |
|---|
| TPSA | 94.41 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 68 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 964.11 |
| LogP ≤ 5 | 14.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|
Analyze bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium 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 bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium?
The IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium (CID 155747306) is bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium.
What is the SMILES notation for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium?
The canonical SMILES for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium is Cc1ccnc(-c2cc(C=O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium?
The InChIKey is ZWOATKMMOJOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C12H10N2O.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;/h2*1-16H;2-8H,1H3;.
What are the key properties of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium?
bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium has a molecular weight of 964.11 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde;ruthenium is sourced from PubChem (CID 155747306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).