C#Cc1cc(C#C)cc(C23CC4CC(C2)CC(c2ccc(C)c(-c5cc(C67CC8CC(CC(c9cc(C#C)cc(C#C)c9)(C8)C6)C7)ccc5C)c2)(C4)C3)c1
SMILES: C#Cc1cc(C#C)cc(C23CC4CC(C2)CC(c2ccc(C)c(-c5cc(C67CC8CC(CC(c9cc(C#C)cc(C#C)c9)(C8)C6)C7)ccc5C)c2)(C4)C3)c1

Molecular Processing

Molecular formula
C54H50
Molecular weight
698.99
Exact mass
698.3913
XLogP
11.47
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
5
Heavy atoms
54
Rings
12
Aromatic rings
4
Saturated rings
8
Aliphatic rings
8
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
222.05

Supplementary Information

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