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17999-93-8 | 1,1'-Biisoquinoline
CAS No: 17999-93-8 Catalog No: AG0021JK MDL No:
Product Description
Catalog Number:
AG0021JK
Chemical Name:
1,1'-Biisoquinoline
CAS Number:
17999-93-8
Molecular Formula:
C18H12N2
Molecular Weight:
256.3013
IUPAC Name:
1-isoquinolin-1-ylisoquinoline
InChI:
InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-12H
InChI Key:
MVVRNAUFPUDQIB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ncc2)c1nccc2c1cccc2
NSC Number:
338038
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.308g/mol
Monoisotopic Mass:
256.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Stability of disubstituted copper complexes in the gas phase analyzed by electrospray ionization mass spectrometry. | Rapid communications in mass spectrometry : RCM 20100515 |
| Fe(II), Ru(II) and Re(I) complexes of endotopic, sterically non-hindering, U-shaped 8,8'-disubstituted-3,3'-biisoquinoline ligands: syntheses and spectroscopic properties. | Dalton transactions (Cambridge, England : 2003) 20080128 |
| Complexation of diazaperylene and bisisoquinoline with transition metal ions in the gas phase studied by electrospray ionization mass spectrometry. | Rapid communications in mass spectrometry : RCM 20080101 |
| Fast electrochemically induced translation of the ring in a copper-complexed [2]rotaxane: the biisoquinoline effect. | Angewandte Chemie (International ed. in English) 20070101 |
| Chiral N-heterocyclic carbene ligands based on a biisoquinoline template. | Dalton transactions (Cambridge, England : 2003) 20061107 |
| Series of new cationic iridium(III) complexes with tunable emission wavelength and excited state properties: structures, theoretical calculations, and photophysical and electrochemical properties. | Inorganic chemistry 20060807 |
| Sterically non-hindering endocyclic ligands of the bi-isoquinoline family. | Chemical communications (Cambridge, England) 20060114 |
| Atropisomeric (R,R)-2,2'-Bi([2]paracyclo[2](5,8)quinolinophane) and (R,R)-1,1'-Bi([2]paracyclo[2](5,8)isoquinolinophane): synthesis, structural analysis, and chiroptical properties. | The Journal of organic chemistry 20050204 |
| Regular and inverse secondary kinetic enthalpy effects (KHE) for the rate of inversion of thioether and 1,1'-biisoquinoline complexes of ruthenium and osmium. | Inorganic chemistry 20011217 |
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