About carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide
carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (PubChem CID 146014838) has the molecular formula C49H58FeNO3P2PdS+
and a molecular weight of 965.29 g/mol. Its IUPAC name is carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.
Molecular Properties
| Compound Name | carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide |
|---|
| PubChem CID | 146014838 |
|---|
| Molecular Formula | C49H58FeNO3P2PdS+ |
|---|
| Molecular Weight | 965.29 g/mol |
|---|
| Exact Mass | 964.20 |
|---|
| IUPAC Name | carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide |
|---|
| SMILES | CS(=O)(=O)O.[CH3-].[CH3-].[Fe+2].[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1 |
|---|
| InChI | InChI=1S/2C17H19P.C12H9N.CH4O3S.2CH3.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;;;;/h2*1-6,9-12,17H,7-8,13-14H2;1-6,8-9,13H;1H3,(H,2,3,4);2*1H3;;/q;;-2;;2*-1;2*+2/p+1 |
|---|
| InChIKey | RUYOWFBBOFRQIO-UHFFFAOYSA-O |
|---|
| XLogP | 12.09 |
|---|
| TPSA | 78.17 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 58 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 965.29 |
| LogP ≤ 5 | 12.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
|---|
Analyze carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide 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 carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The IUPAC name of carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide (CID 146014838) is carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide.
What is the SMILES notation for carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The canonical SMILES for carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is CS(=O)(=O)O.[CH3-].[CH3-].[Fe+2].[NH-]c1ccccc1-c1[c-]cccc1.[Pd+2].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc([PH+](c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
The InChIKey is RUYOWFBBOFRQIO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C17H19P.C12H9N.CH4O3S.2CH3.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;;;;/h2*1-6,9-12,17H,7-8,13-14H2;1-6,8-9,13H;1H3,(H,2,3,4);2*1H3;;/q;;-2;;2*-1;2*+2/p+1.
What are the key properties of carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide?
carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide has a molecular weight of 965.29 g/mol, XLogP of 12.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentyl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphanium;iron(2+);methanesulfonic acid;palladium(2+);(2-phenylphenyl)azanide is sourced from PubChem (CID 146014838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).