potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline

C12H6KN7O12 — CID 173446524

IUPACpotassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.[H-].[K+]
InChIInChI=1S/C12H5N7O12.K.H/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31;;/h1-4,13H;;/q;+1;-1
InChIKeyWBKQRFCTLIVECY-UHFFFAOYSA-N
MW479.32 g/mol
LogP-0.00
Rot. Bonds8

About potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline

potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline (PubChem CID 173446524) has the molecular formula C12H6KN7O12 and a molecular weight of 479.32 g/mol. Its IUPAC name is potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline.

Molecular Properties

Compound Namepotassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
PubChem CID173446524
Molecular FormulaC12H6KN7O12
Molecular Weight479.32 g/mol
Exact Mass478.97
IUPAC Namepotassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.[H-].[K+]
InChIInChI=1S/C12H5N7O12.K.H/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31;;/h1-4,13H;;/q;+1;-1
InChIKeyWBKQRFCTLIVECY-UHFFFAOYSA-N
XLogP-0.00
TPSA270.87 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
2,4,6-trinitro-N-(4-nitrophenyl)aniline
CID 631601
N-(2,6-dichlorophenyl)-2,4,6-trinitroaniline
CID 21440765
N-(2,4,6-trinitroanilino)hydroxylamine
CID 174855795
N-(2-fluorophenyl)-2,4,6-trinitroaniline
CID 3312335
N-(3,4-dibromophenyl)-2,4,6-trinitroaniline
CID 21440771
N-(2,4-difluorophenyl)-2,4,6-trinitroaniline
CID 21440770
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
5-(2,4,6-trinitroanilino)-1H-pyrimidine-2,4-dione
CID 5198221
N-(2-methoxy-5-nitrophenyl)-2,4,6-trinitroaniline
CID 3703226
calcium bis(2,4,6-trinitrophenolate)
CID 517024
2-methyl-1,3,5-trinitrobenzene
CID 87172748

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?
The IUPAC name of potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline (CID 173446524) is potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline.
What is the SMILES notation for potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?
The canonical SMILES for potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.[H-].[K+].
What is the InChIKey of potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?
The InChIKey is WBKQRFCTLIVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5N7O12.K.H/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31;;/h1-4,13H;;/q;+1;-1.
What are the key properties of potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline?
potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline has a molecular weight of 479.32 g/mol, XLogP of -0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline is sourced from PubChem (CID 173446524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).