3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate

C31H40BF4O2P2Pd- — CID 19426377

IUPAC3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate
SMILESCC.CO.CO.F[B-](F)(F)F.[Pd].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C2H6.2CH4O.BF4.Pd/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;3*1-2;2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2H3;2*2H,1H3;;/q;;;;-1;
InChIKeyDZEGZIXNDDDDRU-UHFFFAOYSA-N
MW699.83 g/mol
LogP7.18
Rot. Bonds8

About 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate

3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate (PubChem CID 19426377) has the molecular formula C31H40BF4O2P2Pd- and a molecular weight of 699.83 g/mol. Its IUPAC name is 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate.

Molecular Properties

Compound Name3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate
PubChem CID19426377
Molecular FormulaC31H40BF4O2P2Pd-
Molecular Weight699.83 g/mol
Exact Mass699.16
IUPAC Name3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate
SMILESCC.CO.CO.F[B-](F)(F)F.[Pd].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C2H6.2CH4O.BF4.Pd/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;3*1-2;2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2H3;2*2H,1H3;;/q;;;;-1;
InChIKeyDZEGZIXNDDDDRU-UHFFFAOYSA-N
XLogP7.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.83
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
cycloocta-1,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate
CID 11592885
2-diphenylphosphanylethylazanium tetrafluoroborate
CID 71463643
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
CID 11320626
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(acetonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 11982150
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate?
The IUPAC name of 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate (CID 19426377) is 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate.
What is the SMILES notation for 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate?
The canonical SMILES for 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate is CC.CO.CO.F[B-](F)(F)F.[Pd].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate?
The InChIKey is DZEGZIXNDDDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.C2H6.2CH4O.BF4.Pd/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;3*1-2;2-1(3,4)5;/h1-12,14-21H,13,22-23H2;1-2H3;2*2H,1H3;;/q;;;;-1;.
What are the key properties of 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate?
3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate has a molecular weight of 699.83 g/mol, XLogP of 7.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpropyl(diphenyl)phosphane;ethane;methanol;palladium;tetrafluoroborate is sourced from PubChem (CID 19426377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).