About benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride
benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride (PubChem CID 11115242) has the molecular formula C35H35Cl2NOP2Ru
and a molecular weight of 719.60 g/mol. Its IUPAC name is benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride.
Molecular Properties
| Compound Name | benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride |
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| PubChem CID | 11115242 |
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| Molecular Formula | C35H35Cl2NOP2Ru |
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| Molecular Weight | 719.60 g/mol |
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| Exact Mass | 719.06 |
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| IUPAC Name | benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride |
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| SMILES | Cl[Ru+].[Cl-].c1ccc(P(OC[C@@H]2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccccc1 |
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| InChI | InChI=1S/C29H29NOP2.C6H6.2ClH.Ru/c1-5-15-26(16-6-1)32(27-17-7-2-8-18-27)30-23-13-14-25(30)24-31-33(28-19-9-3-10-20-28)29-21-11-4-12-22-29;1-2-4-6-5-3-1;;;/h1-12,15-22,25H,13-14,23-24H2;1-6H;2*1H;/q;;;;+2/p-2/t25-;;;;/m0..../s1 |
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| InChIKey | OBIDKHNMCANXLU-OFIHFMIUSA-L |
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| XLogP | 4.94 |
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| TPSA | 12.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 719.60 |
| LogP ≤ 5 | 4.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride?
The IUPAC name of benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride (CID 11115242) is benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride.
What is the SMILES notation for benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride?
The canonical SMILES for benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride is Cl[Ru+].[Cl-].c1ccc(P(OC[C@@H]2CCCN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride?
The InChIKey is OBIDKHNMCANXLU-OFIHFMIUSA-L. The full InChI is InChI=1S/C29H29NOP2.C6H6.2ClH.Ru/c1-5-15-26(16-6-1)32(27-17-7-2-8-18-27)30-23-13-14-25(30)24-31-33(28-19-9-3-10-20-28)29-21-11-4-12-22-29;1-2-4-6-5-3-1;;;/h1-12,15-22,25H,13-14,23-24H2;1-6H;2*1H;/q;;;;+2/p-2/t25-;;;;/m0..../s1.
What are the key properties of benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride?
benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride has a molecular weight of 719.60 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlororuthenium(1+);[(2S)-2-(diphenylphosphanyloxymethyl)pyrrolidin-1-yl]-diphenylphosphane;chloride is sourced from PubChem (CID 11115242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).