[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane

C28H27NP2 — CID 13329892

IUPAC[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2CNC[C@H]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-29-22-28(27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29H,21-22H2/t27-,28-/m1/s1
InChIKeyYMRKZKDKJJCIHH-VSGBNLITSA-N
MW439.48 g/mol
LogP4.59
Rot. Bonds6

About [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane

[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (PubChem CID 13329892) has the molecular formula C28H27NP2 and a molecular weight of 439.48 g/mol. Its IUPAC name is [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
PubChem CID13329892
Molecular FormulaC28H27NP2
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2CNC[C@H]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-29-22-28(27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29H,21-22H2/t27-,28-/m1/s1
InChIKeyYMRKZKDKJJCIHH-VSGBNLITSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.59
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 [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The IUPAC name of [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (CID 13329892) is [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.
What is the SMILES notation for [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The canonical SMILES for [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)[C@@H]2CNC[C@H]2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The InChIKey is YMRKZKDKJJCIHH-VSGBNLITSA-N. The full InChI is InChI=1S/C28H27NP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-29-22-28(27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29H,21-22H2/t27-,28-/m1/s1.
What are the key properties of [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
[(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane has a molecular weight of 439.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is sourced from PubChem (CID 13329892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).