2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol

C37H36NO2P — CID 165163748

IUPAC2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol
SMILESO=P(CC(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H36NO2P/c39-36(29-41(40,33-23-12-4-13-24-33)34-25-14-5-15-26-34)35-27-16-28-38(35)37(30-17-6-1-7-18-30,31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-15,17-26,35-36,39H,16,27-29H2/t35-,36?/m0/s1
InChIKeyNVGDCFNHATWKDE-TYIYNAFKSA-N
MW557.67 g/mol
LogP6.82
Rot. Bonds9

About 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol

2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol (PubChem CID 165163748) has the molecular formula C37H36NO2P and a molecular weight of 557.67 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol
PubChem CID165163748
Molecular FormulaC37H36NO2P
Molecular Weight557.67 g/mol
Exact Mass557.25
IUPAC Name2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol
SMILESO=P(CC(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H36NO2P/c39-36(29-41(40,33-23-12-4-13-24-33)34-25-14-5-15-26-34)35-27-16-28-38(35)37(30-17-6-1-7-18-30,31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-15,17-26,35-36,39H,16,27-29H2/t35-,36?/m0/s1
InChIKeyNVGDCFNHATWKDE-TYIYNAFKSA-N
XLogP6.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol (CID 165163748) is 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol is O=P(CC(O)[C@@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol?
The InChIKey is NVGDCFNHATWKDE-TYIYNAFKSA-N. The full InChI is InChI=1S/C37H36NO2P/c39-36(29-41(40,33-23-12-4-13-24-33)34-25-14-5-15-26-34)35-27-16-28-38(35)37(30-17-6-1-7-18-30,31-19-8-2-9-20-31)32-21-10-3-11-22-32/h1-15,17-26,35-36,39H,16,27-29H2/t35-,36?/m0/s1.
What are the key properties of 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol?
2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol has a molecular weight of 557.67 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-[(2S)-1-tritylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 165163748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).