bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane

C36H37P3 — CID 90110141

IUPACbis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
SMILESPC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2
InChIKeyIPOZNCNSFMXMQB-UHFFFAOYSA-N
MW562.61 g/mol
LogP9.21
Rot. Bonds11

About bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane

bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane (PubChem CID 90110141) has the molecular formula C36H37P3 and a molecular weight of 562.61 g/mol. Its IUPAC name is bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane.

Molecular Properties

Compound Namebis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
PubChem CID90110141
Molecular FormulaC36H37P3
Molecular Weight562.61 g/mol
Exact Mass562.21
IUPAC Namebis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
SMILESPC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2
InChIKeyIPOZNCNSFMXMQB-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.61
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane 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 bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The IUPAC name of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane (CID 90110141) is bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane.
What is the SMILES notation for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The canonical SMILES for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane is PC(CCP(CCC(P)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
The InChIKey is IPOZNCNSFMXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37P3/c37-35(30-16-6-1-7-17-30,31-18-8-2-9-19-31)26-28-39(34-24-14-5-15-25-34)29-27-36(38,32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29,37-38H2.
What are the key properties of bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane?
bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane has a molecular weight of 562.61 g/mol, XLogP of 9.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane is sourced from PubChem (CID 90110141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).