CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)Br)OC)C
CAS: 1256579-03-9
Name: 9-bromo-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILES: CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)Br)OC)C

Molecular Processing

Molecular formula
C20H15BrN2O2
Molecular weight
395.26
Exact mass
394.0317
XLogP
4.68
TPSA
65.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
99.27

Supplementary Information

InChIKey: GUISUVNGHUNBTO-UHFFFAOYSA-N
Synonyme
9-Bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile1256579-03-9MFCD280983159-bromo-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrileC20H15BrN2O2SCHEMBL897528GUISUVNGHUNBTO-UHFFFAOYSA-NAC3410SY060671
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