About bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride (PubChem CID 21096461) has the molecular formula C58H46Cl2P2Ti2-2
and a molecular weight of 971.59 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride.
Molecular Properties
| Compound Name | bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride |
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| PubChem CID | 21096461 |
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| Molecular Formula | C58H46Cl2P2Ti2-2 |
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| Molecular Weight | 971.59 g/mol |
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| Exact Mass | 970.14 |
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| IUPAC Name | bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride |
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| SMILES | Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2 |
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| InChI | InChI=1S/2C16H14P.2C13H9.2ClH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*2-11,17H,1H3;2*1-5,7-8H,9H2;2*1H;;/q4*-1;;;2*+2/p-2 |
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| InChIKey | KPNYHCBAYSRHRI-UHFFFAOYSA-L |
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| XLogP | 7.11 |
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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 | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 971.59 |
| LogP ≤ 5 | 7.11 |
| 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(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride (CID 21096461) is bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride.
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride is Cc1ccccc1Pc1cc2ccccc2[cH-]1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?
The InChIKey is KPNYHCBAYSRHRI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H14P.2C13H9.2ClH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*2-11,17H,1H3;2*1-5,7-8H,9H2;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride?
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride has a molecular weight of 971.59 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride is sourced from PubChem (CID 21096461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).