1,18-Diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(35),14,16,18(36),31,33-hexaene

Details

• Internal ID: e12b96d8-42f6-49d6-9eb8-0cd5f971d5fd
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridinium derivatives
• IUPAC Name: 1,18-diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(34),14(36),15,17,31(35),32-hexaene
• InChI: InChI=1S/C34H56N2/c1-3-7-11-15-19-27-35-29-22-26-34(32-35)24-18-14-10-6-2-4-8-12-16-20-28-36-30-21-25-33(31-36)23-17-13-9-5-1/h21-22,25-26,29-32H,1-20,23-24,27-28H2/q+2
• InChI Key: CVJGOXTUHXIHPC-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₄H₅₆N₂+₂
• Molecular Weight: 492.80 g/mol
• Exact Mass: 492.444349795 g/mol
• Topological Polar Surface Area (TPSA): 7.80 Ų
• XlogP: 12.00

Synonyms

• CHEMBL4745892
• 1,18-Diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(35),14,16,18(36),31,33-hexaene
• CHEMBL1182239
• SCHEMBL13138923
• DTXSID30388429
• BDBM50548719
• 1(1,3),14(3,1)-Dipyridinacyclohexacosaphane-1~1~,14~1~-diium

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.25%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.07%	91.11%
CHEMBL6007	O75762	Transient receptor potential cation channel subfamily A member 1	82.19%	92.17%
CHEMBL1951	P21397	Monoamine oxidase A	82.17%	91.49%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 3012472
• LOTUS: LTS0184118
• wikiData: Q82183396