CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(C#CCCCCO)ccc(c6ccc(c2c36)C1=O)c54
الاسم: N-(2,6-diisopropylphenyl)-9-(6-hydroxy-1-hexynyl)perylene-3,4-dicarboximide
SMILES: CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(C#CCCCCO)ccc(c6ccc(c2c36)C1=O)c54

Molecular Processing

Molecular formula
C40H35NO3
Molecular weight
577.72
Exact mass
577.2617
XLogP
9.3
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
44
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
181.23

Supplementary Information

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