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

C29H29NP2 — CID 88728895

IUPAC[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
SMILESCN1CC(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-/m1/s1
InChIKeyGJMMGUCIACLVBO-YPJJGMIRSA-N
MW453.51 g/mol
LogP5.28
Rot. Bonds6

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

[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane (PubChem CID 88728895) has the molecular formula C29H29NP2 and a molecular weight of 453.51 g/mol. Its IUPAC name is [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
PubChem CID88728895
Molecular FormulaC29H29NP2
Molecular Weight453.51 g/mol
Exact Mass453.18
IUPAC Name[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
SMILESCN1CC(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-/m1/s1
InChIKeyGJMMGUCIACLVBO-YPJJGMIRSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The IUPAC name of [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane (CID 88728895) is [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The canonical SMILES for [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane is CN1CC(P(c2ccccc2)c2ccccc2)C[C@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
The InChIKey is GJMMGUCIACLVBO-YPJJGMIRSA-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-/m1/s1.
What are the key properties of [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane?
[(2R)-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 [(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane is sourced from PubChem (CID 88728895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).