diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane

C56H56P4Si — CID 54116395

IUPACdiphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane
SMILESc1ccc(P(CC[Si](CCP(c2ccccc2)c2ccccc2)(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H56P4Si/c1-9-25-49(26-10-1)57(50-27-11-2-12-28-50)41-45-61(46-42-58(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-43-59(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-44-60(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,41-48H2
InChIKeyNKQIHPAFIPIAMJ-UHFFFAOYSA-N
MW881.05 g/mol
LogP11.97
Rot. Bonds20

About diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane

diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane (PubChem CID 54116395) has the molecular formula C56H56P4Si and a molecular weight of 881.05 g/mol. Its IUPAC name is diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane
PubChem CID54116395
Molecular FormulaC56H56P4Si
Molecular Weight881.05 g/mol
Exact Mass880.31
IUPAC Namediphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane
SMILESc1ccc(P(CC[Si](CCP(c2ccccc2)c2ccccc2)(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C56H56P4Si/c1-9-25-49(26-10-1)57(50-27-11-2-12-28-50)41-45-61(46-42-58(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-43-59(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-44-60(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,41-48H2
InChIKeyNKQIHPAFIPIAMJ-UHFFFAOYSA-N
XLogP11.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.05
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane?
The IUPAC name of diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane (CID 54116395) is diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane.
What is the SMILES notation for diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane?
The canonical SMILES for diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane is c1ccc(P(CC[Si](CCP(c2ccccc2)c2ccccc2)(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane?
The InChIKey is NKQIHPAFIPIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56P4Si/c1-9-25-49(26-10-1)57(50-27-11-2-12-28-50)41-45-61(46-42-58(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-43-59(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-44-60(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,41-48H2.
What are the key properties of diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane?
diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane has a molecular weight of 881.05 g/mol, XLogP of 11.97, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[tris(2-diphenylphosphanylethyl)silyl]ethyl]phosphane is sourced from PubChem (CID 54116395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).