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Compound
3,5-Di(carbazol-9-yl)benzoic acid
HCID
59638305
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
O=C(O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIKey
IVUVNVIQTLPVRH-UHFFFAOYSA-N
Molecular formula
C31H20N2O2
Average molar mass
452.5 g/mol
Monoisotopic mass
452.15247789
Names & identifiers
Preferred name
3,5-Di(carbazol-9-yl)benzoic acid
IUPAC
3,5-di(carbazol-9-yl)benzoic acid
Names & synonyms
SCHEMBL986793
IVUVNVIQTLPVRH-UHFFFAOYSA-N
3,5-di(carbazol-9-yl)benzoic acid
Database identifiers
PubChem CID
59638305
Properties
Computed structural properties
XLogP
7.6
Topological polar surface area
47.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
35
Formal charge
0
Complexity
686
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
180257
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1037514
As product
uspto-grants-2013_10
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