7,8-dihydro-5$l^{5}-azatetraphen-5-ylium perchlorate

• ChemBase ID: 83755
• Molecular Formular: C17H14ClNO4
• Molecular Mass: 331.75036
• Monoisotopic Mass: 331.06113561
• SMILES: [Cl](=O)(=O)(=O)[O-].[n+]12ccccc1cc1c(c2)CCc2c1cccc2
• Canonical SMILES: c1ccc2c(c1)CCc1c2cc2cccc[n+]2c1.[O-][Cl](=O)(=O)=O
• InChI: InChI=1S/C17H14N.ClHO4/c1-2-7-16-13(5-1)8-9-14-12-18-10-4-3-6-15(18)11-17(14)16;2-1(3,4)5/h1-7,10-12H,8-9H2;(H,2,3,4,5)/q+1;/p-1
• InChIKey: ZNPPEIMDMYNUBK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dihydro-5$l^{5}-azatetraphen-5-ylium perchlorate
• IUPAC Traditional name: 7,8-dihydro-5$l^{5}-azatetraphen-5-ylium perchlorate ion
• Synonyms: 5H,6H-benzo[f]pyrido[1,2-b]isoquinolinium perchlorate

Database IDs

• MDL Number: MFCD00179533
• PubChem SID: 162070872
• PubChem CID: 2780878

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4063644
• LogD (pH = 7.4): 1.4063644
• Log P: 1.4063644
• Molar Refractivity: 75.9001 cm^3
• Polarizability: 30.431862 Å^3
• Polar Surface Area: 4.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true