1,1-Diphenyl-2-picrylhydrazyl (free radical)

C18H12N5O6 — CID 2735032

IUPAC—
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c([N]N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyHHEAADYXPMHMCT-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.40
Rot. Bonds7

About 1,1-Diphenyl-2-picrylhydrazyl (free radical)

1,1-Diphenyl-2-picrylhydrazyl (free radical) (PubChem CID 2735032) has the molecular formula C18H12N5O6 and a molecular weight of 394.32 g/mol.

Molecular Properties

Compound Name1,1-Diphenyl-2-picrylhydrazyl (free radical)
PubChem CID2735032
Molecular FormulaC18H12N5O6
Molecular Weight394.32 g/mol
Exact Mass394.08
IUPAC Name—
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c([N]N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyHHEAADYXPMHMCT-UHFFFAOYSA-N
XLogP4.40
TPSA146.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dipicrylamine
CID 8576
Benzenamine, 2,4-dinitro-N-phenyl-
CID 13748
1,4-Benzenediamine, N1-(2,4-dinitrophenyl)-
CID 4267574
4-Nitrotriphenylamine
CID 350141
4-Amino-2-nitrodiphenylamine
CID 5464602
Hydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)-
CID 74358
1,2-Phenylenediamine, 4-nitro-N1-phenyl-
CID 3750424
Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
CID 88538
1,4-Bis(2,4-dinitrophenyl)piperazine
CID 98893
2,4-Dinitro-N-(4-nitrophenyl)aniline
CID 13774
2,4,6-Trinitro-N-(4-nitrophenyl)aniline
CID 631601
2,2',4,4'-Tetranitrodiphenylamine
CID 17967

Frequently Asked Questions

What is the IUPAC name of 1,1-Diphenyl-2-picrylhydrazyl (free radical)?
The IUPAC name of 1,1-Diphenyl-2-picrylhydrazyl (free radical) (CID 2735032) is not available.
What is the SMILES notation for 1,1-Diphenyl-2-picrylhydrazyl (free radical)?
The canonical SMILES for 1,1-Diphenyl-2-picrylhydrazyl (free radical) is O=[N+]([O-])c1cc([N+](=O)[O-])c([N]N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1,1-Diphenyl-2-picrylhydrazyl (free radical)?
The InChIKey is HHEAADYXPMHMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,1-Diphenyl-2-picrylhydrazyl (free radical)?
1,1-Diphenyl-2-picrylhydrazyl (free radical) has a molecular weight of 394.32 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-Diphenyl-2-picrylhydrazyl (free radical) is sourced from PubChem (CID 2735032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).