About bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride (PubChem CID 21096471) has the molecular formula C50H42F2P2Ti2-2
and a molecular weight of 838.56 g/mol. Its IUPAC name is bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride.
Molecular Properties
| Compound Name | bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride |
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| PubChem CID | 21096471 |
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| Molecular Formula | C50H42F2P2Ti2-2 |
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| Molecular Weight | 838.56 g/mol |
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| Exact Mass | 838.17 |
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| IUPAC Name | bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride |
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| SMILES | Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+2].[Ti+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1 |
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| InChI | InChI=1S/2C16H14P.2C9H7.2FH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*2-11,17H,1H3;2*1-7H;2*1H;;/q4*-1;;;2*+2/p-2 |
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| InChIKey | NIOVNWWTTYREFU-UHFFFAOYSA-L |
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| XLogP | 6.11 |
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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 | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 838.56 |
| LogP ≤ 5 | 6.11 |
| 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-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?
The IUPAC name of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride (CID 21096471) is bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride.
What is the SMILES notation for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?
The canonical SMILES for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride is Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+2].[Ti+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?
The InChIKey is NIOVNWWTTYREFU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H14P.2C9H7.2FH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*2-11,17H,1H3;2*1-7H;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride?
bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride has a molecular weight of 838.56 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride is sourced from PubChem (CID 21096471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).