1,3-dinitrophenazine

C12H6N4O4 — CID 78388402

IUPAC1,3-dinitrophenazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc3ccccc3nc2c1
InChIInChI=1S/C12H6N4O4/c17-15(18)7-5-10-12(11(6-7)16(19)20)14-9-4-2-1-3-8(9)13-10/h1-6H
InChIKeyYHMYIFUNFCEUIM-UHFFFAOYSA-N
MW270.20 g/mol
LogP2.60
Rot. Bonds2

About 1,3-dinitrophenazine

1,3-dinitrophenazine (PubChem CID 78388402) has the molecular formula C12H6N4O4 and a molecular weight of 270.20 g/mol. Its IUPAC name is 1,3-dinitrophenazine.

Molecular Properties

Compound Name1,3-dinitrophenazine
PubChem CID78388402
Molecular FormulaC12H6N4O4
Molecular Weight270.20 g/mol
Exact Mass270.04
IUPAC Name1,3-dinitrophenazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc3ccccc3nc2c1
InChIInChI=1S/C12H6N4O4/c17-15(18)7-5-10-12(11(6-7)16(19)20)14-9-4-2-1-3-8(9)13-10/h1-6H
InChIKeyYHMYIFUNFCEUIM-UHFFFAOYSA-N
XLogP2.60
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trinitrophenazine
CID 175246743
6,8-dinitroquinoline
CID 11106850
2-(4-methoxyphenoxy)-5,7-dinitro-3-phenylquinoxaline
CID 42605010
quinolin-3-ol;2,4,6-trinitrophenol
CID 172885267
3-nitroacridin-9-amine
CID 26592
1H-benzimidazole;2,4,6-trinitrophenol
CID 71363503
1-nitrophenazin-2-amine
CID 121007009
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
2,4-dichloro-6,8-dinitroquinazoline
CID 155490280
2-(2,3,4,5,6-pentafluorophenyl)quinoline;2,4,6-trinitrophenol
CID 13224233
2-aminoquinoline-3-carboxylic acid;2,4,6-trinitrophenol
CID 2750069
benzene-1,4-diol;2-methyl-1,3,5-trinitrobenzene
CID 88762858

Frequently Asked Questions

What is the IUPAC name of 1,3-dinitrophenazine?
The IUPAC name of 1,3-dinitrophenazine (CID 78388402) is 1,3-dinitrophenazine.
What is the SMILES notation for 1,3-dinitrophenazine?
The canonical SMILES for 1,3-dinitrophenazine is O=[N+]([O-])c1cc([N+](=O)[O-])c2nc3ccccc3nc2c1.
What is the InChIKey of 1,3-dinitrophenazine?
The InChIKey is YHMYIFUNFCEUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O4/c17-15(18)7-5-10-12(11(6-7)16(19)20)14-9-4-2-1-3-8(9)13-10/h1-6H.
What are the key properties of 1,3-dinitrophenazine?
1,3-dinitrophenazine has a molecular weight of 270.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dinitrophenazine is sourced from PubChem (CID 78388402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).