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2047352-83-8

2047352-83-8 structural image
Product Name: Propanedinitrile, 2,2′-[[6,6,12,12-tetrakis(4-hexylphenyl)-6,12-dihydrodithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene-2,8-diyl]bis[methylidyne(5-methyl-3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-
Formula: C96H86N4O2S4
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COMPUTED DESCRIPTORS

Molecular Weight 1456.0 g/mol
XLogP3 28.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 26
Exact Mass 1455.56671753 g/mol
Monoisotopic Mass 1454.56336269 g/mol
Topological Polar Surface Area 242 Ų
Heavy Atom Count 106
Formal Charge 0
Complexity 3340
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes