1,3,6,8-Tetraethynyl-9H-carbazole
Product Information
Molecular Formula
C20H9N
Molecular Weight
263.29
IUPAC Name
1,3,6,8-tetraethynyl-9H-carbazole
SMILES
C#CC1=CC(=C2C(=C1)C3=CC(=CC(=C3N2)C#C)C#C)C#C
InChI
InChI=1S/C20H9N/c1-5-13-9-15(7-3)19-17(11-13)18-12-14(6-2)10-16(8-4)20(18)21-19/h1-4,9-12,21H
InChI Key
KLNHWHRQKIRLMO-UHFFFAOYSA-N
Purity
98%
Computed Properties
XLogP3
4.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
263.073499291
Monoisotopic Mass
263.073499291
Topological Polar Surface Area
15.8
Heavy Atom Count
21
Formal Charge
0
Complexity
564
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes