Cc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4cc(Br)c(cc5nc(cc6ccc2[nH]6)C(C)(C)C5)[nH]4)C=C3)cc1
Name: 6
SMILES: Cc1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4cc(Br)c(cc5nc(cc6ccc2[nH]6)C(C)(C)C5)[nH]4)C=C3)cc1

Molecular Processing

Molecular formula
C38H35BrN4
Molecular weight
627.63
Exact mass
626.2045
XLogP
10.34
TPSA
57.36
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
43
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
184.18

Supplementary Information

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