O=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ccc21
名称: 3,3″-bis(phenyl)-9′-[(phenyl)sulfonyl]-9,3′:6′,9″-ter-9H-carbazole
SMILES: O=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ccc21

Molecular Processing

Molecular formula
C54H35N3O2S
Molecular weight
789.96
Exact mass
789.245
XLogP
13.56
TPSA
48.93
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
60
Rings
12
Aromatic rings
12
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
248.02

Supplementary Information

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