Free Chemical Databases
-
[Synonyms]
NSC99528
2-BENZ[A]ANTHRACEN-12-YLBENZO[B]THIOPHENE
[Structure]
[ Properties Computed from Structure]
Molecular Weight 360.47024 [g/mol] Molecular Formula C26H16S XLogP 8.1 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 1 Exact Mass 360.097271 MonoIsotopic Mass 360.097271 Topological Polar Surface Area 0 Heavy Atom Count 27 Formal Charge 0 Complexity 528 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
[ Descriptors Computed from Structure]
IUPAC Name: 2-benzo[b]phenanthren-12-yl-1-benzothiophene
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)C5=CC6=CC=CC=C6S5
InChI: InChI=1/C26H16S/c1-4-10-21-17(7-1)13-14-20-15-18-8-2-5-11-22(18)26(25
(20)21)24-16-19-9-3-6-12-23(19)27-24/h1-16H
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