oxadiazole;2,4,5,7-tetranitrosofluoren-9-one

C15H6N6O6 — CID 174863608

IUPACoxadiazole;2,4,5,7-tetranitrosofluoren-9-one
SMILESO=Nc1cc(N=O)c2c(c1)C(=O)c1cc(N=O)cc(N=O)c1-2.c1conn1
InChIInChI=1S/C13H4N4O5.C2H2N2O/c18-13-7-1-5(14-19)3-9(16-21)11(7)12-8(13)2-6(15-20)4-10(12)17-22;1-2-5-4-3-1/h1-4H;1-2H
InChIKeyPJLRRJSIQFGYOP-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.56
Rot. Bonds4

About oxadiazole;2,4,5,7-tetranitrosofluoren-9-one

oxadiazole;2,4,5,7-tetranitrosofluoren-9-one (PubChem CID 174863608) has the molecular formula C15H6N6O6 and a molecular weight of 366.25 g/mol. Its IUPAC name is oxadiazole;2,4,5,7-tetranitrosofluoren-9-one.

Molecular Properties

Compound Nameoxadiazole;2,4,5,7-tetranitrosofluoren-9-one
PubChem CID174863608
Molecular FormulaC15H6N6O6
Molecular Weight366.25 g/mol
Exact Mass366.03
IUPAC Nameoxadiazole;2,4,5,7-tetranitrosofluoren-9-one
SMILESO=Nc1cc(N=O)c2c(c1)C(=O)c1cc(N=O)cc(N=O)c1-2.c1conn1
InChIInChI=1S/C13H4N4O5.C2H2N2O/c18-13-7-1-5(14-19)3-9(16-21)11(7)12-8(13)2-6(15-20)4-10(12)17-22;1-2-5-4-3-1/h1-4H;1-2H
InChIKeyPJLRRJSIQFGYOP-UHFFFAOYSA-N
XLogP4.56
TPSA173.71 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;2,4,5,7-tetranitrosofluoren-9-one?
The IUPAC name of oxadiazole;2,4,5,7-tetranitrosofluoren-9-one (CID 174863608) is oxadiazole;2,4,5,7-tetranitrosofluoren-9-one.
What is the SMILES notation for oxadiazole;2,4,5,7-tetranitrosofluoren-9-one?
The canonical SMILES for oxadiazole;2,4,5,7-tetranitrosofluoren-9-one is O=Nc1cc(N=O)c2c(c1)C(=O)c1cc(N=O)cc(N=O)c1-2.c1conn1.
What is the InChIKey of oxadiazole;2,4,5,7-tetranitrosofluoren-9-one?
The InChIKey is PJLRRJSIQFGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4N4O5.C2H2N2O/c18-13-7-1-5(14-19)3-9(16-21)11(7)12-8(13)2-6(15-20)4-10(12)17-22;1-2-5-4-3-1/h1-4H;1-2H.
What are the key properties of oxadiazole;2,4,5,7-tetranitrosofluoren-9-one?
oxadiazole;2,4,5,7-tetranitrosofluoren-9-one has a molecular weight of 366.25 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;2,4,5,7-tetranitrosofluoren-9-one is sourced from PubChem (CID 174863608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).