Free Chemical Databases
-
[Synonyms]
NSC338053
[Structure]
[ Properties Computed from Structure]
Molecular Weight 438.51588 [g/mol] Molecular Formula C32H22O2 XLogP 9.2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 438.16198 MonoIsotopic Mass 438.16198 Topological Polar Surface Area 34.1 Heavy Atom Count 34 Formal Charge 0 Complexity 744 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-ethyl-6,11-di(phenyl)tetracene-5,12-dione
Canonical SMILES: CCC1=CC2=C(C=C1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1/C32H22O2/c1-2-20-17-18-25-26(19-20)32(34)30-28(22-13-7-4-8-14-
22)24-16-10-9-15-23(24)27(29(30)31(25)33)21-11-5-3-6-12-21/h3-19H,2H2,
1H3
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