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

C28H27NP2 — CID 13329891

IUPAC[(3S,4S)-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-/m0/s1
InChIKeyYMRKZKDKJJCIHH-NSOVKSMOSA-N
MW439.48 g/mol
LogP4.59
Rot. Bonds6

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

[(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (PubChem CID 13329891) has the molecular formula C28H27NP2 and a molecular weight of 439.48 g/mol. Its IUPAC name is [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
PubChem CID13329891
Molecular FormulaC28H27NP2
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name[(3S,4S)-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-/m0/s1
InChIKeyYMRKZKDKJJCIHH-NSOVKSMOSA-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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Related Compounds

(2S,4S)-(-)-4-Diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine
CID 10939369
(R,R)-Pyrophos
CID 13329892
Phosphonium, triphenyl(2-(1-pyrrolidinyl)ethyl)-, bromide (1:1)
CID 19085441
Bis(2-(diphenylphosphino)ethyl)amine hydrochloride
CID 21144848
Carbonylhydrido(tetrahydroborato)(bis(2-diphenylphosphinoethyl)amino)ruthenium(II)
CID 71579174
3-(Butylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905931
3-(Pentylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905932
3-(Ethylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905934
Triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
CID 46905935
3-(Hexylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905937
Bis(2-(diphenylphosphino)ethyl)amine
CID 434330
Methylamine, N,N-bis(2-diphenylphosphinoethyl)-
CID 604044

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The IUPAC name of [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane (CID 13329891) is [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane.
What is the SMILES notation for [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The canonical SMILES for [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)[C@H]2CNC[C@@H]2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
The InChIKey is YMRKZKDKJJCIHH-NSOVKSMOSA-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-/m0/s1.
What are the key properties of [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane?
[(3S,4S)-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 [(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane is sourced from PubChem (CID 13329891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).