tetrakis(4-nitrophenyl)gallanuide

C24H16GaN4O8- — CID 153431237

IUPACtetrakis(4-nitrophenyl)gallanuide
SMILESO=[N+]([O-])c1ccc([Ga-](c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/4C6H4NO2.Ga/c4*8-7(9)6-4-2-1-3-5-6;/h4*2-5H;/q;;;;-1
InChIKeyJIRKSMSLWGNBFY-UHFFFAOYSA-N
MW558.14 g/mol
LogP2.70
Rot. Bonds8

About tetrakis(4-nitrophenyl)gallanuide

tetrakis(4-nitrophenyl)gallanuide (PubChem CID 153431237) has the molecular formula C24H16GaN4O8- and a molecular weight of 558.14 g/mol. Its IUPAC name is tetrakis(4-nitrophenyl)gallanuide.

Molecular Properties

Compound Nametetrakis(4-nitrophenyl)gallanuide
PubChem CID153431237
Molecular FormulaC24H16GaN4O8-
Molecular Weight558.14 g/mol
Exact Mass557.02
IUPAC Nametetrakis(4-nitrophenyl)gallanuide
SMILESO=[N+]([O-])c1ccc([Ga-](c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/4C6H4NO2.Ga/c4*8-7(9)6-4-2-1-3-5-6;/h4*2-5H;/q;;;;-1
InChIKeyJIRKSMSLWGNBFY-UHFFFAOYSA-N
XLogP2.70
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(4-nitrophenyl)gallanuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59711141
CID 59711141
(4-nitrophenyl)thallium
CID 88798953
1,4-dinitrobenzene;nitrous acid
CID 174371180
4-nitrophenol
CID 88714583
sodium;4-nitrophenolate;dihydrate
CID 2735104
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
4-nitrophenol;phosphane
CID 157153413
4-nitropyridine;hydrate
CID 132647818
1-nitro-4-[2-(4-nitrophenyl)ethynyl]benzene
CID 622663
sodium;azane;4-nitrophenolate
CID 174872097
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-nitrophenyl)gallanuide?
The IUPAC name of tetrakis(4-nitrophenyl)gallanuide (CID 153431237) is tetrakis(4-nitrophenyl)gallanuide.
What is the SMILES notation for tetrakis(4-nitrophenyl)gallanuide?
The canonical SMILES for tetrakis(4-nitrophenyl)gallanuide is O=[N+]([O-])c1ccc([Ga-](c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of tetrakis(4-nitrophenyl)gallanuide?
The InChIKey is JIRKSMSLWGNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H4NO2.Ga/c4*8-7(9)6-4-2-1-3-5-6;/h4*2-5H;/q;;;;-1.
What are the key properties of tetrakis(4-nitrophenyl)gallanuide?
tetrakis(4-nitrophenyl)gallanuide has a molecular weight of 558.14 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-nitrophenyl)gallanuide is sourced from PubChem (CID 153431237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).