About 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) (PubChem CID 87828125) has the molecular formula C35H35PZr
and a molecular weight of 577.86 g/mol. Its IUPAC name is 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+).
Molecular Properties
| Compound Name | 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) |
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| PubChem CID | 87828125 |
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| Molecular Formula | C35H35PZr |
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| Molecular Weight | 577.86 g/mol |
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| Exact Mass | 576.15 |
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| IUPAC Name | 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) |
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| SMILES | CP(C)c1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].c1ccc(CCc2ccccc2)cc1 |
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| InChI | InChI=1S/C14H14.C11H12P.C10H9.Zr/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-12(2)11-7-9-5-3-4-6-10(9)8-11;1-8-6-9-4-2-3-5-10(9)7-8;/h1-10H,11-12H2;3-8H,1-2H3;2-7H,1H3;/q;2*-1;+2 |
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| InChIKey | HCEGWYCXEQDUEP-UHFFFAOYSA-N |
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| XLogP | 9.26 |
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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 | 4 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 577.86 |
| LogP ≤ 5 | 9.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)?
The IUPAC name of 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) (CID 87828125) is 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+).
What is the SMILES notation for 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)?
The canonical SMILES for 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) is CP(C)c1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Zr+2].c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)?
The InChIKey is HCEGWYCXEQDUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C11H12P.C10H9.Zr/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-12(2)11-7-9-5-3-4-6-10(9)8-11;1-8-6-9-4-2-3-5-10(9)7-8;/h1-10H,11-12H2;3-8H,1-2H3;2-7H,1H3;/q;2*-1;+2.
What are the key properties of 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)?
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) has a molecular weight of 577.86 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+) is sourced from PubChem (CID 87828125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).