C=CCn1c2ccc(OC)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)N(Cc1ccc(OC)cc1OC)C3=O
Name: 4-(2-chlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione
SMILES: C=CCn1c2ccc(OC)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)N(Cc1ccc(OC)cc1OC)C3=O

Molecular Processing

Molecular formula
C33H27ClN2O5
Molecular weight
567.04
Exact mass
566.1608
XLogP
7.12
TPSA
70
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
160.39

Supplementary Information

InChIKey: QTJURYXELJEPIO-UHFFFAOYSA-N
Synonyme
SCHEMBL5836982QTJURYXELJEPIO-UHFFFAOYSA-N6-Ally-4-(2-chlorophenyl)-2-(2,4-dimethoxybenzyl)-9-methoxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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