About bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate (PubChem CID 11320626) has the molecular formula C41H36B2F8N2P2Pt
and a molecular weight of 987.39 g/mol. Its IUPAC name is bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate.
Molecular Properties
| Compound Name | bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate |
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| PubChem CID | 11320626 |
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| Molecular Formula | C41H36B2F8N2P2Pt |
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| Molecular Weight | 987.39 g/mol |
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| Exact Mass | 987.21 |
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| IUPAC Name | bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate |
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| SMILES | F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C27H26P2.2C7H5N.2BF4.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;;;/q;;;2*-1;+2 |
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| InChIKey | QZODFYMHBDMFAU-UHFFFAOYSA-N |
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| XLogP | 11.36 |
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| TPSA | 47.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 987.39 |
| LogP ≤ 5 | 11.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate?
The IUPAC name of bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate (CID 11320626) is bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate.
What is the SMILES notation for bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate?
The canonical SMILES for bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.[Pt+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate?
The InChIKey is QZODFYMHBDMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.2C7H5N.2BF4.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;;;/q;;;2*-1;+2.
What are the key properties of bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate?
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate has a molecular weight of 987.39 g/mol, XLogP of 11.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate is sourced from PubChem (CID 11320626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).