tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate

C34H40N10O8 — CID 173289960

IUPACtetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.NCCN
InChIInChI=1S/4C6H5N2.C2H8N2.4C2H4O2/c4*7-8-6-4-2-1-3-5-6;3-1-2-4;4*1-2(3)4/h4*1-5H;1-4H2;4*1H3,(H,3,4)/q4*+1;;;;;/p-4
InChIKeyMQXDHRNPDYHEPP-UHFFFAOYSA-J
MW716.76 g/mol
LogP2.61
Rot. Bonds1

About tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate

tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate (PubChem CID 173289960) has the molecular formula C34H40N10O8 and a molecular weight of 716.76 g/mol. Its IUPAC name is tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate.

Molecular Properties

Compound Nametetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
PubChem CID173289960
Molecular FormulaC34H40N10O8
Molecular Weight716.76 g/mol
Exact Mass716.30
IUPAC Nametetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.NCCN
InChIInChI=1S/4C6H5N2.C2H8N2.4C2H4O2/c4*7-8-6-4-2-1-3-5-6;3-1-2-4;4*1-2(3)4/h4*1-5H;1-4H2;4*1H3,(H,3,4)/q4*+1;;;;;/p-4
InChIKeyMQXDHRNPDYHEPP-UHFFFAOYSA-J
XLogP2.61
TPSA325.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 160578350
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CID 91971119
benzenediazonium;zinc;dichloride
CID 158959477
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 22162631
calcium;sodium;acetic acid;ethane-1,2-diamine;triacetate
CID 172759124
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate?
The IUPAC name of tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate (CID 173289960) is tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate.
What is the SMILES notation for tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate?
The canonical SMILES for tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.N#[N+]c1ccccc1.NCCN.
What is the InChIKey of tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate?
The InChIKey is MQXDHRNPDYHEPP-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5N2.C2H8N2.4C2H4O2/c4*7-8-6-4-2-1-3-5-6;3-1-2-4;4*1-2(3)4/h4*1-5H;1-4H2;4*1H3,(H,3,4)/q4*+1;;;;;/p-4.
What are the key properties of tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate?
tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate has a molecular weight of 716.76 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzenediazonium);ethane-1,2-diamine;tetraacetate is sourced from PubChem (CID 173289960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).