diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane

C52H46P4 — CID 10898452

IUPACdiphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
SMILESc1ccc(P(c2ccccc2)C(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H46P4/c1-9-25-43(26-10-1)53(44-27-11-2-12-28-44)51(54(45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40,51-52H,41-42H2
InChIKeyZZXIFKMFEZHAPW-UHFFFAOYSA-N
MW794.84 g/mol
LogP10.95
Rot. Bonds15

About diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane

diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane (PubChem CID 10898452) has the molecular formula C52H46P4 and a molecular weight of 794.84 g/mol. Its IUPAC name is diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane.

Molecular Properties

Compound Namediphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
PubChem CID10898452
Molecular FormulaC52H46P4
Molecular Weight794.84 g/mol
Exact Mass794.25
IUPAC Namediphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
SMILESc1ccc(P(c2ccccc2)C(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H46P4/c1-9-25-43(26-10-1)53(44-27-11-2-12-28-44)51(54(45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40,51-52H,41-42H2
InChIKeyZZXIFKMFEZHAPW-UHFFFAOYSA-N
XLogP10.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.84
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-diphenylphosphanylethane-1,2-diamine
CID 70150427
[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
CID 88682846
bis[bis(diphenylphosphanyl)methyl]mercury
CID 71335163
1,2-dichloroethyl(diphenyl)phosphane;nickel
CID 88516422
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
2-diphenylphosphanylpentanedial
CID 175284088
1-methoxybutyl(diphenyl)phosphane
CID 126564219
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane?
The IUPAC name of diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane (CID 10898452) is diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane.
What is the SMILES notation for diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane?
The canonical SMILES for diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane is c1ccc(P(c2ccccc2)C(CCC(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane?
The InChIKey is ZZXIFKMFEZHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46P4/c1-9-25-43(26-10-1)53(44-27-11-2-12-28-44)51(54(45-29-13-3-14-30-45)46-31-15-4-16-32-46)41-42-52(55(47-33-17-5-18-34-47)48-35-19-6-20-36-48)56(49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40,51-52H,41-42H2.
What are the key properties of diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane?
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane has a molecular weight of 794.84 g/mol, XLogP of 10.95, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane is sourced from PubChem (CID 10898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).