About benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride
benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride (PubChem CID 11072956) has the molecular formula C50H38Cl2P2Ru
and a molecular weight of 872.78 g/mol. Its IUPAC name is benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride.
Molecular Properties
| Compound Name | benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride |
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| PubChem CID | 11072956 |
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| Molecular Formula | C50H38Cl2P2Ru |
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| Molecular Weight | 872.78 g/mol |
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| Exact Mass | 872.09 |
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| IUPAC Name | benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride |
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| SMILES | Cl[Ru+].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccccc1 |
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| InChI | InChI=1S/C44H32P2.C6H6.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-4-6-5-3-1;;;/h1-32H;1-6H;2*1H;/q;;;;+2/p-2 |
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| InChIKey | ZXBWEYDPYJZEFT-UHFFFAOYSA-L |
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| XLogP | 8.55 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 872.78 |
| LogP ≤ 5 | 8.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride?
The IUPAC name of benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride (CID 11072956) is benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride.
What is the SMILES notation for benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride?
The canonical SMILES for benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride is Cl[Ru+].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccccc1.
What is the InChIKey of benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride?
The InChIKey is ZXBWEYDPYJZEFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H32P2.C6H6.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-4-6-5-3-1;;;/h1-32H;1-6H;2*1H;/q;;;;+2/p-2.
What are the key properties of benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride?
benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride has a molecular weight of 872.78 g/mol, XLogP of 8.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlororuthenium(1+);[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;chloride is sourced from PubChem (CID 11072956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).