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9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

HCID 21980656
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Nc1ccc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=O
InChIKey
NPDLYFVMOJHKCG-UHFFFAOYSA-N
Molecular formula
C20H12ClN3O2
Average molar mass
361.8 g/mol

Names & identifiers

Preferred name
9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
IUPAC
9-amino-4-(2-chlorophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione

Names & synonyms

SCHEMBL5828688NPDLYFVMOJHKCG-UHFFFAOYSA-N9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

Database identifiers

PubChem CID
21980656

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
88 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
26
Formal charge
0
Complexity
614

Related reactions

4 records
New reaction record
HRID 11164 reaction equation
HRID 11164As reactantuspto-grants-2006_08
HRID 11165 reaction equation
HRID 11165As reactantuspto-grants-2006_08
HRID 152134 reaction equation
HRID 152134As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2129277 reaction equation
HRID 2129277As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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