N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline

C12H9N5O4 — CID 87563783

IUPACN-diazenyl-4-nitro-N-(4-nitrophenyl)aniline
SMILES[H]/N=N/N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N5O4/c13-14-15(9-1-5-11(6-2-9)16(18)19)10-3-7-12(8-4-10)17(20)21/h1-8,13H/b14-13+
InChIKeyOXUZOJSOIWENIB-BUHFOSPRSA-N
MW287.24 g/mol
LogP3.59
Rot. Bonds5

About N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline

N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline (PubChem CID 87563783) has the molecular formula C12H9N5O4 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound NameN-diazenyl-4-nitro-N-(4-nitrophenyl)aniline
PubChem CID87563783
Molecular FormulaC12H9N5O4
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC NameN-diazenyl-4-nitro-N-(4-nitrophenyl)aniline
SMILES[H]/N=N/N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N5O4/c13-14-15(9-1-5-11(6-2-9)16(18)19)10-3-7-12(8-4-10)17(20)21/h1-8,13H/b14-13+
InChIKeyOXUZOJSOIWENIB-BUHFOSPRSA-N
XLogP3.59
TPSA125.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-diazenyl-4-nitrobenzamide
CID 141438284
N,N-dichloro-4-nitroaniline;molecular nitrogen
CID 174775109
1,4-dinitrobenzene;nitrous acid
CID 174371180
bis(4-nitrophenyl)carbamic acid
CID 20515803
2-chloro-N-(methylideneamino)-N-(4-nitrophenyl)aniline
CID 68571224
CID 59711141
CID 59711141
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N-amino-N-(4-nitrophenyl)formamide
CID 88681644
N-(4-nitrophenyl)-N-(propan-2-ylideneamino)nitramide
CID 88847387
N-(4-nitrophenyl)-N-trimethylsilylacetamide
CID 172736262
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
N-tert-butyl-N-chloro-4-nitroaniline
CID 134996236

Frequently Asked Questions

What is the IUPAC name of N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline?
The IUPAC name of N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline (CID 87563783) is N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline.
What is the SMILES notation for N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline?
The canonical SMILES for N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline is [H]/N=N/N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline?
The InChIKey is OXUZOJSOIWENIB-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N5O4/c13-14-15(9-1-5-11(6-2-9)16(18)19)10-3-7-12(8-4-10)17(20)21/h1-8,13H/b14-13+.
What are the key properties of N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline?
N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline has a molecular weight of 287.24 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-4-nitro-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 87563783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).