[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane

C29H29NP2 — CID 101030870

IUPAC[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
SMILESCN1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NP2/c1-30-23-28(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-29(30)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-/m0/s1
InChIKeyGJMMGUCIACLVBO-VMPREFPWSA-N
MW453.51 g/mol
LogP5.28
Rot. Bonds6

About [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane

[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane (PubChem CID 101030870) has the molecular formula C29H29NP2 and a molecular weight of 453.51 g/mol. Its IUPAC name is [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
PubChem CID101030870
Molecular FormulaC29H29NP2
Molecular Weight453.51 g/mol
Exact Mass453.18
IUPAC Name[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
SMILESCN1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NP2/c1-30-23-28(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-29(30)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-/m0/s1
InChIKeyGJMMGUCIACLVBO-VMPREFPWSA-N
XLogP5.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 88728895
cyclononyl(diphenyl)phosphane
CID 70908257
1-[(2S,4S)-4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]ethanone
CID 15321970
[(3S,5S)-5-(diphenylphosphanylmethyl)-1-methylsulfonylpyrrolidin-3-yl]-diphenylphosphane
CID 10744809
acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane
CID 123381145
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
ethyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 88907993
[(3S,5S)-1-bis(3-methylphenyl)phosphoryl-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
CID 57179888
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
[1-[2-(2-diphenylphosphanyl-3-methylimidazolidin-1-ium-1-yl)phenyl]-3-methylimidazolidin-1-ium-2-yl]-diphenylphosphane
CID 164668856
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane
CID 90861548

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The IUPAC name of [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane (CID 101030870) is [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The canonical SMILES for [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane is CN1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The InChIKey is GJMMGUCIACLVBO-VMPREFPWSA-N. The full InChI is InChI=1S/C29H29NP2/c1-30-23-28(31(24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-29(30)32(26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-/m0/s1.
What are the key properties of [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane has a molecular weight of 453.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane is sourced from PubChem (CID 101030870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).