diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane

C23H25NP2 — CID 87528571

IUPACdiphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane
SMILESc1ccc(PC2CNC(CP(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H25NP2/c1-4-10-20(11-5-1)25-21-16-19(24-17-21)18-26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19,21,24-25H,16-18H2
InChIKeyJFFBWUANSZLTRL-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.85
Rot. Bonds6

About diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane

diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane (PubChem CID 87528571) has the molecular formula C23H25NP2 and a molecular weight of 377.41 g/mol. Its IUPAC name is diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane
PubChem CID87528571
Molecular FormulaC23H25NP2
Molecular Weight377.41 g/mol
Exact Mass377.15
IUPAC Namediphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane
SMILESc1ccc(PC2CNC(CP(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H25NP2/c1-4-10-20(11-5-1)25-21-16-19(24-17-21)18-26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19,21,24-25H,16-18H2
InChIKeyJFFBWUANSZLTRL-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane?
The IUPAC name of diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane (CID 87528571) is diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane.
What is the SMILES notation for diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane?
The canonical SMILES for diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane is c1ccc(PC2CNC(CP(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane?
The InChIKey is JFFBWUANSZLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NP2/c1-4-10-20(11-5-1)25-21-16-19(24-17-21)18-26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19,21,24-25H,16-18H2.
What are the key properties of diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane?
diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane has a molecular weight of 377.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane is sourced from PubChem (CID 87528571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).