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

C28H22N2O3P2 — CID 144961529

IUPAC2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane
SMILESCC.c1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C26H16N2O3P2.C2H6/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;1-2/h1-16H;1-2H3
InChIKeyCYJHCARSYIEZBC-UHFFFAOYSA-N
MW496.44 g/mol
LogP4.82
Rot. Bonds2

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

2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane (PubChem CID 144961529) has the molecular formula C28H22N2O3P2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane
PubChem CID144961529
Molecular FormulaC28H22N2O3P2
Molecular Weight496.44 g/mol
Exact Mass496.11
IUPAC Name2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane
SMILESCC.c1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1
InChIInChI=1S/C26H16N2O3P2.C2H6/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;1-2/h1-16H;1-2H3
InChIKeyCYJHCARSYIEZBC-UHFFFAOYSA-N
XLogP4.82
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.44
LogP ≤ 54.82
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;ethane?
The IUPAC name of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane (CID 144961529) is 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane is CC.c1ccc2c(c1)Oc1ccccc1P2c1nnc(P2c3ccccc3Oc3ccccc32)o1.
What is the InChIKey of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane?
The InChIKey is CYJHCARSYIEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O3P2.C2H6/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;1-2/h1-16H;1-2H3.
What are the key properties of 2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane?
2,5-di(phenoxaphosphinin-10-yl)-1,3,4-oxadiazole;ethane has a molecular weight of 496.44 g/mol, XLogP of 4.82, 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;ethane is sourced from PubChem (CID 144961529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).