이름: 2,2′-dimethyl-5,5′-bis(3-bromo-1-adamantyl)biphenyl
SMILES:
Cc1ccc(C23CC4CC(CC(Br)(C4)C2)C3)cc1-c1cc(C23CC4CC(CC(Br)(C4)C2)C3)ccc1CMolecular Processing
Molecular formula
C34H40Br2
Molecular weight
608.5
Exact mass
606.1497
XLogP
9.94
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
36
Rings
10
Aromatic rings
2
Saturated rings
8
Aliphatic rings
8
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
157.39
Supplementary Information
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