(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine

C21H21N2P — CID 130439099

IUPAC(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine
SMILESCN1PN(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H21N2P/c1-22-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)23(24-22)19-15-9-4-10-16-19/h2-16,20-21,24H,1H3/t20-,21-/m1/s1
InChIKeyHAGRIJJDZIBUPE-NHCUHLMSSA-N
MW332.39 g/mol
LogP5.43
Rot. Bonds3

About (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine

(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine (PubChem CID 130439099) has the molecular formula C21H21N2P and a molecular weight of 332.39 g/mol. Its IUPAC name is (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine.

Molecular Properties

Compound Name(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine
PubChem CID130439099
Molecular FormulaC21H21N2P
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine
SMILESCN1PN(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H21N2P/c1-22-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)23(24-22)19-15-9-4-10-16-19/h2-16,20-21,24H,1H3/t20-,21-/m1/s1
InChIKeyHAGRIJJDZIBUPE-NHCUHLMSSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine?
The IUPAC name of (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine (CID 130439099) is (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine.
What is the SMILES notation for (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine?
The canonical SMILES for (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine is CN1PN(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine?
The InChIKey is HAGRIJJDZIBUPE-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H21N2P/c1-22-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)23(24-22)19-15-9-4-10-16-19/h2-16,20-21,24H,1H3/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine?
(4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine has a molecular weight of 332.39 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-methyl-3,4,5-triphenyl-1,3,2-diazaphospholidine is sourced from PubChem (CID 130439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).