benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate

C36H30NO3P — CID 88721240

IUPACbenzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(N1CCC1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30NO3P/c38-33-26-27-37(33)35(36(39)40-34(28-16-6-1-7-17-28)29-18-8-2-9-19-29)41(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,34H,26-27H2
InChIKeyJJIHNACIPPKOSZ-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.68
Rot. Bonds8

About benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate

benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 88721240) has the molecular formula C36H30NO3P and a molecular weight of 555.61 g/mol. Its IUPAC name is benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Namebenzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID88721240
Molecular FormulaC36H30NO3P
Molecular Weight555.61 g/mol
Exact Mass555.20
IUPAC Namebenzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(N1CCC1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30NO3P/c38-33-26-27-37(33)35(36(39)40-34(28-16-6-1-7-17-28)29-18-8-2-9-19-29)41(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,34H,26-27H2
InChIKeyJJIHNACIPPKOSZ-UHFFFAOYSA-N
XLogP5.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate (CID 88721240) is benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate is O=C(OC(c1ccccc1)c1ccccc1)C(N1CCC1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is JJIHNACIPPKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30NO3P/c38-33-26-27-37(33)35(36(39)40-34(28-16-6-1-7-17-28)29-18-8-2-9-19-29)41(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,34H,26-27H2.
What are the key properties of benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate?
benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 555.61 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(2-oxoazetidin-1-yl)-2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 88721240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).