Name: 3-(3′,3″-Dibenzyl-4″-hydroxy-2-isobutyl-1,1′:4′,1″-terphenyl-4-yl)propanenitrile
SMILES:
CC(C)Cc1cc(CCC#N)ccc1-c1ccc(-c2ccc(O)c(Cc3ccccc3)c2)c(Cc2ccccc2)c1Molecular Processing
Molecular formula
C39H37NO
Molecular weight
535.73
Exact mass
535.2875
XLogP
9.56
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.205
Molar refractivity
169.95
Supplementary Information
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Involved in 5 reactions→