bis(3-nitrophenyl)diazene

C12H8N4O4 — CID 10858607

IUPACbis(3-nitrophenyl)diazene
SMILESO=[N+]([O-])c1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8N4O4/c17-15(18)11-5-1-3-9(7-11)13-14-10-4-2-6-12(8-10)16(19)20/h1-8H/b14-13+
InChIKeySYXZBJMDUGLCBV-BUHFOSPRSA-N
MW272.22 g/mol
LogP3.92
Rot. Bonds4

About bis(3-nitrophenyl)diazene

bis(3-nitrophenyl)diazene (PubChem CID 10858607) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is bis(3-nitrophenyl)diazene.

Molecular Properties

Compound Namebis(3-nitrophenyl)diazene
PubChem CID10858607
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Namebis(3-nitrophenyl)diazene
SMILESO=[N+]([O-])c1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8N4O4/c17-15(18)11-5-1-3-9(7-11)13-14-10-4-2-6-12(8-10)16(19)20/h1-8H/b14-13+
InChIKeySYXZBJMDUGLCBV-BUHFOSPRSA-N
XLogP3.92
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
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

3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
2-(3-nitrophenyl)guanidine
CID 15667866
N-methyl-3-nitro-N-[(3-nitrophenyl)diazenyl]aniline
CID 4008195
1-azido-3-nitrobenzene;hydrofluoride
CID 161250805
1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine
CID 139086961
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
4-[(3-nitrophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 3516420
CID 174796132
CID 174796132
3-(aminomethyl)-6-[(3-nitrophenyl)diazenyl]benzene-1,2-dicarbonitrile
CID 139626752
1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
CID 71327652
5,11,17-tris[(3,5-dinitrophenyl)diazenyl]-43-[(3-nitrophenyl)diazenyl]pentacyclo[39.3.1.13,7.19,13.115,19]octatetraconta-1(44),3(48),4,6,9,11,13(47),15,17,19(46),41(45),42-dodecaene-45,46,47,48-tetrol
CID 130450521
5,11,17-tris[(3,5-dinitrophenyl)diazenyl]-33-[(3-nitrophenyl)diazenyl]pentacyclo[29.3.1.13,7.19,13.115,19]octatriaconta-1(34),3(38),4,6,9,11,13(37),15,17,19(36),31(35),32-dodecaene-35,36,37,38-tetrol
CID 118684000

Frequently Asked Questions

What is the IUPAC name of bis(3-nitrophenyl)diazene?
The IUPAC name of bis(3-nitrophenyl)diazene (CID 10858607) is bis(3-nitrophenyl)diazene.
What is the SMILES notation for bis(3-nitrophenyl)diazene?
The canonical SMILES for bis(3-nitrophenyl)diazene is O=[N+]([O-])c1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of bis(3-nitrophenyl)diazene?
The InChIKey is SYXZBJMDUGLCBV-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H8N4O4/c17-15(18)11-5-1-3-9(7-11)13-14-10-4-2-6-12(8-10)16(19)20/h1-8H/b14-13+.
What are the key properties of bis(3-nitrophenyl)diazene?
bis(3-nitrophenyl)diazene has a molecular weight of 272.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-nitrophenyl)diazene is sourced from PubChem (CID 10858607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).