About bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride (PubChem CID 21096050) has the molecular formula C56H72Cl2P4Zr2-2
and a molecular weight of 1122.44 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride.
Molecular Properties
| Compound Name | bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride |
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| PubChem CID | 21096050 |
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| Molecular Formula | C56H72Cl2P4Zr2-2 |
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| Molecular Weight | 1122.44 g/mol |
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| Exact Mass | 1118.21 |
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| IUPAC Name | bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride |
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| SMILES | CC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2] |
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| InChI | InChI=1S/2C17H24P.2C11H12P.2ClH.2Zr/c2*1-13(2)11-18(12-14(3)4)17-9-15-7-5-6-8-16(15)10-17;2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;;/h2*5-10,13-14H,11-12H2,1-4H3;2*3-8H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2 |
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| InChIKey | KUAGIBOSVCGNKZ-UHFFFAOYSA-L |
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| XLogP | 9.81 |
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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 | 12 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1122.44 |
| LogP ≤ 5 | 9.81 |
| 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 bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride?
The IUPAC name of bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride (CID 21096050) is bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride is CC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride?
The InChIKey is KUAGIBOSVCGNKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H24P.2C11H12P.2ClH.2Zr/c2*1-13(2)11-18(12-14(3)4)17-9-15-7-5-6-8-16(15)10-17;2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;;/h2*5-10,13-14H,11-12H2,1-4H3;2*3-8H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride?
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride has a molecular weight of 1122.44 g/mol, XLogP of 9.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride is sourced from PubChem (CID 21096050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).