4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide

C20H15N4O2P — CID 58399986

IUPAC4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2nonc2N1c1ccccc1
InChIInChI=1S/C20H15N4O2P/c25-27(18-14-8-3-9-15-18)23(16-10-4-1-5-11-16)19-20(22-26-21-19)24(27)17-12-6-2-7-13-17/h1-15H
InChIKeyAGRYGWQGUZWWID-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.88
Rot. Bonds3

About 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide

4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide (PubChem CID 58399986) has the molecular formula C20H15N4O2P and a molecular weight of 374.34 g/mol. Its IUPAC name is 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide.

Molecular Properties

Compound Name4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
PubChem CID58399986
Molecular FormulaC20H15N4O2P
Molecular Weight374.34 g/mol
Exact Mass374.09
IUPAC Name4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2nonc2N1c1ccccc1
InChIInChI=1S/C20H15N4O2P/c25-27(18-14-8-3-9-15-18)23(16-10-4-1-5-11-16)19-20(22-26-21-19)24(27)17-12-6-2-7-13-17/h1-15H
InChIKeyAGRYGWQGUZWWID-UHFFFAOYSA-N
XLogP4.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The IUPAC name of 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide (CID 58399986) is 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide.
What is the SMILES notation for 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The canonical SMILES for 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide is O=P1(c2ccccc2)N(c2ccccc2)c2nonc2N1c1ccccc1.
What is the InChIKey of 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The InChIKey is AGRYGWQGUZWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N4O2P/c25-27(18-14-8-3-9-15-18)23(16-10-4-1-5-11-16)19-20(22-26-21-19)24(27)17-12-6-2-7-13-17/h1-15H.
What are the key properties of 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide has a molecular weight of 374.34 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-triphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide is sourced from PubChem (CID 58399986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).