名称: 3-(3′,3″-Dibenzyl-4″-(cyanomethoxy)-2-isobutyl-1,1′:4′,1″-terphenyl-4-yl)propanenitrile
SMILES:
CC(C)Cc1cc(CCC#N)ccc1-c1ccc(-c2ccc(OCC#N)c(Cc3ccccc3)c2)c(Cc2ccccc2)c1Molecular Processing
Molecular formula
C41H38N2O
Molecular weight
574.77
Exact mass
574.2984
XLogP
9.76
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
44
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.22
Molar refractivity
179.39
Supplementary Information
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