About carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) (PubChem CID 137319737) has the molecular formula C54H66FeN2P2
and a molecular weight of 860.93 g/mol. Its IUPAC name is carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+).
Molecular Properties
| Compound Name | carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) |
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| PubChem CID | 137319737 |
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| Molecular Formula | C54H66FeN2P2 |
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| Molecular Weight | 860.93 g/mol |
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| Exact Mass | 860.41 |
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| IUPAC Name | carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) |
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| SMILES | CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2] |
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| InChI | InChI=1S/2C26H30NP.2CH3.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h2*3-11,13-18,24-26H,12,19-20H2,1-2H3;2*1H3;/q;;2*-1;+2/t2*24?,25?,26-;;;/m00.../s1 |
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| InChIKey | LSMDJGUVQOMULO-CKNDVDLTSA-N |
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| XLogP | 12.08 |
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| TPSA | 6.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 860.93 |
| LogP ≤ 5 | 12.08 |
| H-Bond Donors ≤ 5 | 0 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?
The IUPAC name of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) (CID 137319737) is carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+).
What is the SMILES notation for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?
The canonical SMILES for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) is CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?
The InChIKey is LSMDJGUVQOMULO-CKNDVDLTSA-N. The full InChI is InChI=1S/2C26H30NP.2CH3.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h2*3-11,13-18,24-26H,12,19-20H2,1-2H3;2*1H3;/q;;2*-1;+2/t2*24?,25?,26-;;;/m00.../s1.
What are the key properties of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) has a molecular weight of 860.93 g/mol, XLogP of 12.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) is sourced from PubChem (CID 137319737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).