[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane

C41H38NP3 — CID 57019934

IUPAC[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38NP3/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)33-34-31-41(44(37-23-11-3-12-24-37)38-25-13-4-14-26-38)32-42(34)45(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,34,41H,31-33H2/t34-,41-/m0/s1
InChIKeyHCLFRYSIMMZDAQ-GVICWXJLSA-N
MW637.68 g/mol
LogP7.74
Rot. Bonds10

About [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane

[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane (PubChem CID 57019934) has the molecular formula C41H38NP3 and a molecular weight of 637.68 g/mol. Its IUPAC name is [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane
PubChem CID57019934
Molecular FormulaC41H38NP3
Molecular Weight637.68 g/mol
Exact Mass637.22
IUPAC Name[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane
SMILESc1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H38NP3/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)33-34-31-41(44(37-23-11-3-12-24-37)38-25-13-4-14-26-38)32-42(34)45(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,34,41H,31-33H2/t34-,41-/m0/s1
InChIKeyHCLFRYSIMMZDAQ-GVICWXJLSA-N
XLogP7.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.68
LogP ≤ 57.74
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 [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane?
The IUPAC name of [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane (CID 57019934) is [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane is c1ccc(P(C[C@@H]2C[C@H](P(c3ccccc3)c3ccccc3)CN2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane?
The InChIKey is HCLFRYSIMMZDAQ-GVICWXJLSA-N. The full InChI is InChI=1S/C41H38NP3/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)33-34-31-41(44(37-23-11-3-12-24-37)38-25-13-4-14-26-38)32-42(34)45(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,34,41H,31-33H2/t34-,41-/m0/s1.
What are the key properties of [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane?
[(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane has a molecular weight of 637.68 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1,4-bis(diphenylphosphanyl)pyrrolidin-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 57019934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).