Name: ethyl 5′,6′-dihydro-5′,5′-dimethyl-8′-(4-methylphenyl)-2,2′-binaphthalene
SMILES:
CCc1c(-c2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)ccc2ccccc12Molecular Processing
Molecular formula
C31H30
Molecular weight
402.58
Exact mass
402.2348
XLogP
8.49
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.226
Molar refractivity
134.66
Supplementary Information
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