HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

3,5-Di(carbazol-9-yl)benzoic acid

HCID 59638305
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL986793IVUVNVIQTLPVRH-UHFFFAOYSA-N3,5-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

Related reactions

2 records
New reaction record
HRID 180257 reaction equation
HRID 180257As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1037514 reaction equation
HRID 1037514As productuspto-grants-2013_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes