bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate

C56H60B2F8O2P4Pt2-2 — CID 10996904

IUPACbis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.O.O.[Pt].[Pt].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C28H28P2.2BF4.2H2O.2Pt/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*2-1(3,4)5;;;;/h2*1-12,15-22H,13-14,23-24H2;;;2*1H2;;/q;;2*-1;;;;
InChIKeyZZKOTKRRUYJUKR-UHFFFAOYSA-N
MW1452.75 g/mol
LogP13.01
Rot. Bonds18

About bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate

bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate (PubChem CID 10996904) has the molecular formula C56H60B2F8O2P4Pt2-2 and a molecular weight of 1452.75 g/mol. Its IUPAC name is bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate.

Molecular Properties

Compound Namebis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
PubChem CID10996904
Molecular FormulaC56H60B2F8O2P4Pt2-2
Molecular Weight1452.75 g/mol
Exact Mass1452.29
IUPAC Namebis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.O.O.[Pt].[Pt].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C28H28P2.2BF4.2H2O.2Pt/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*2-1(3,4)5;;;;/h2*1-12,15-22H,13-14,23-24H2;;;2*1H2;;/q;;2*-1;;;;
InChIKeyZZKOTKRRUYJUKR-UHFFFAOYSA-N
XLogP13.01
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.75
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate?
The IUPAC name of bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate (CID 10996904) is bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate.
What is the SMILES notation for bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate?
The canonical SMILES for bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate is F[B-](F)(F)F.F[B-](F)(F)F.O.O.[Pt].[Pt].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate?
The InChIKey is ZZKOTKRRUYJUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28P2.2BF4.2H2O.2Pt/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*2-1(3,4)5;;;;/h2*1-12,15-22H,13-14,23-24H2;;;2*1H2;;/q;;2*-1;;;;.
What are the key properties of bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate?
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate has a molecular weight of 1452.75 g/mol, XLogP of 13.01, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate is sourced from PubChem (CID 10996904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).