[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane

C35H33NP2 — CID 10907542

IUPAC[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
SMILESc1ccc(CN2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H](P(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m0/s1
InChIKeyGYKMEKRMASHMIH-PXLJZGITSA-N
MW529.60 g/mol
LogP6.51
Rot. Bonds8

About [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane

[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (PubChem CID 10907542) has the molecular formula C35H33NP2 and a molecular weight of 529.60 g/mol. Its IUPAC name is [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
PubChem CID10907542
Molecular FormulaC35H33NP2
Molecular Weight529.60 g/mol
Exact Mass529.21
IUPAC Name[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
SMILESc1ccc(CN2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H](P(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m0/s1
InChIKeyGYKMEKRMASHMIH-PXLJZGITSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 56.51
H-Bond Donors ≤ 50
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 [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The IUPAC name of [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (CID 10907542) is [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.
What is the SMILES notation for [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The canonical SMILES for [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is c1ccc(CN2C[C@H](P(c3ccccc3)c3ccccc3)[C@@H](P(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The InChIKey is GYKMEKRMASHMIH-PXLJZGITSA-N. The full InChI is InChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m0/s1.
What are the key properties of [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
[(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane has a molecular weight of 529.60 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is sourced from PubChem (CID 10907542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).