Name: 3-[4″-(cyanomethoxy)-2,3″-diisobutyl-3′-isopropyl-1,1′:4′,1″-terphenyl-4-yl]propanenitrile
SMILES:
CC(C)Cc1cc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2C(C)C)ccc1OCC#NMolecular Processing
Molecular formula
C34H40N2O
Molecular weight
492.71
Exact mass
492.3141
XLogP
8.9
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
153.53
Supplementary Information
Details werden geladen…
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