About dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)
dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 58737612) has the molecular formula C59H89Cl2NO2P2Ru+2
and a molecular weight of 1078.29 g/mol. Its IUPAC name is dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium).
Molecular Properties
| Compound Name | dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) |
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| PubChem CID | 58737612 |
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| Molecular Formula | C59H89Cl2NO2P2Ru+2 |
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| Molecular Weight | 1078.29 g/mol |
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| Exact Mass | 1077.48 |
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| IUPAC Name | dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) |
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| SMILES | C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.O=C1c2ccccc2C(=O)N1CC1CC(/C=C\c2ccccc2)CC1C=[Ru](Cl)Cl |
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| InChI | InChI=1S/C23H21NO2.2C18H33P.2ClH.Ru/c1-16-13-18(12-11-17-7-3-2-4-8-17)14-19(16)15-24-22(25)20-9-5-6-10-21(20)23(24)26;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-12,16,18-19H,13-15H2;2*16-18H,1-15H2;2*1H;/q;;;;;+2/b12-11-;;;;; |
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| InChIKey | FJXWUTNMCNXHPK-DMDFFLOWSA-N |
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| XLogP | 17.76 |
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| TPSA | 37.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 67 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1078.29 |
| LogP ≤ 5 | 17.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?
The IUPAC name of dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) (CID 58737612) is dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium).
What is the SMILES notation for dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?
The canonical SMILES for dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.O=C1c2ccccc2C(=O)N1CC1CC(/C=C\c2ccccc2)CC1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?
The InChIKey is FJXWUTNMCNXHPK-DMDFFLOWSA-N. The full InChI is InChI=1S/C23H21NO2.2C18H33P.2ClH.Ru/c1-16-13-18(12-11-17-7-3-2-4-8-17)14-19(16)15-24-22(25)20-9-5-6-10-21(20)23(24)26;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-12,16,18-19H,13-15H2;2*16-18H,1-15H2;2*1H;/q;;;;;+2/b12-11-;;;;;.
What are the key properties of dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium)?
dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 1078.29 g/mol, XLogP of 17.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-[(Z)-2-phenylethenyl]cyclopentyl]methylidene]ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 58737612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).