About hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene
hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene (PubChem CID 87830474) has the molecular formula C40H37HfP-2
and a molecular weight of 727.20 g/mol. Its IUPAC name is hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene.
Molecular Properties
| Compound Name | hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene |
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| PubChem CID | 87830474 |
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| Molecular Formula | C40H37HfP-2 |
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| Molecular Weight | 727.20 g/mol |
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| Exact Mass | 728.21 |
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| IUPAC Name | hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene |
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| SMILES | Cc1cc2ccccc2[cH-]1.Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].c1ccc(CCc2ccccc2)cc1 |
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| InChI | InChI=1S/C16H14P.C14H14.C10H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-6-9-4-2-3-5-10(9)7-8;/h2-11,17H,1H3;1-10H,11-12H2;2-7H,1H3;/q-1;;-1; |
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| InChIKey | ZCFNHVINOUHQDU-UHFFFAOYSA-N |
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| XLogP | 9.83 |
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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 | 5 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 727.20 |
| LogP ≤ 5 | 9.83 |
| 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 hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The IUPAC name of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene (CID 87830474) is hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene.
What is the SMILES notation for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The canonical SMILES for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene is Cc1cc2ccccc2[cH-]1.Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
The InChIKey is ZCFNHVINOUHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C14H14.C10H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-8-6-9-4-2-3-5-10(9)7-8;/h2-11,17H,1H3;1-10H,11-12H2;2-7H,1H3;/q-1;;-1;.
What are the key properties of hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene?
hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene has a molecular weight of 727.20 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene is sourced from PubChem (CID 87830474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).