2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole

C26H16N2O3P2 — CID 118524630

IUPAC2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C26H16N2O3P2/c1-5-13-21-17(9-1)29-18-10-2-6-14-22(18)32(21)25-27-28-26(31-25)33-23-15-7-3-11-19(23)30-20-12-4-8-16-24(20)33/h1-16H
InChIKeyILSLAYYKMXMBIV-UHFFFAOYSA-N
MW466.37 g/mol
LogP3.80
Rot. Bonds2

About 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole

2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole (PubChem CID 118524630) has the molecular formula C26H16N2O3P2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole
PubChem CID118524630
Molecular FormulaC26H16N2O3P2
Molecular Weight466.37 g/mol
Exact Mass466.06
IUPAC Name2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C26H16N2O3P2/c1-5-13-21-17(9-1)29-18-10-2-6-14-22(18)32(21)25-27-28-26(31-25)33-23-15-7-3-11-19(23)30-20-12-4-8-16-24(20)33/h1-16H
InChIKeyILSLAYYKMXMBIV-UHFFFAOYSA-N
XLogP3.80
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole (CID 118524630) is 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole is c1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1.
What is the InChIKey of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole?
The InChIKey is ILSLAYYKMXMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O3P2/c1-5-13-21-17(9-1)29-18-10-2-6-14-22(18)32(21)25-27-28-26(31-25)33-23-15-7-3-11-19(23)30-20-12-4-8-16-24(20)33/h1-16H.
What are the key properties of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole?
2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole has a molecular weight of 466.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 118524630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).