Basic information
- CAS
6336-32-9- Standard SMILES
c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13- InChIKey
YCPBCVTUBBBNJJ-UHFFFAOYSA-N- Molecular formula
- C18H12N2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10004838
Names & identifiers
- Preferred name
- 5,11-Dihydroindolo[3,2-b]carbazole
- IUPAC
- 5,11-dihydroindolo[3,2-b]carbazole
- English name
- Indolo[3,2-b]carbazole
- Molecular formula
- C18H12N2
- Molecular weight
- 256.3
Names & synonyms
5,11-dihydroindolo[3,2-b]carbazoleDTXSID409795045,11-Dihydroindolo(3,2-b)carbazoleRefChem:527585DTXCID801406798833-804-26336-32-9Indolo[3,2-b]carbazole, 5,11-dihydro-MFCD09879258NSC390375,11-dihydro-indolo[3,2-b]carbazole5,11-Dihydridoindolo[3,2-b]carbazole
Show more names
Indolo[32-b]carbazoleJACS-6336-32-9Indolo[3,2-b]carbazolIndolo[3,2-b]carbazole5H,11H-indolo[3,2-b]carbazole5,11-Dihydroindolo[3,2-b]carbaz
SCHEMBL550602Indolo(3,2-b)carbazole, 6,12-dihydro-CHEMBL509307NSC-39037AKOS0251174225,11-Dihydroindolo[3,2-b] carbazole10.14272/YCPBCVTUBBBNJJ-UHFFFAOYSA-N.16,12-Dihydroindolo(3,2-b)carbazole
Database identifiers
- CAS
6336-32-9- PubChem CID
- 95838
- DTXSID
DTXSID40979504- ChEMBL
CHEMBL509307- EC Number
- 833-804-2
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 460 °C · 460°C(lit.)
- Boiling point
- 569.8 · 569.8±23.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 16.7 · 16.70±0.30(Predicted)
- color
- White to Yellow to Green
- λmax
- 338 nm · 338nm(DMF)(lit.)
- InChI
- InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10,19-20H
- InChIKey
- YCPBCVTUBBBNJJ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C=C1C3=C(NC1=C2)C=CC=C3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses5,11-Dihydroindolo[3,2-b]carbazole is a useful research chemical.
Descriptionindolo[3,2-b]carbazole has a large planar and rigid conjugated structure with fused alternating three benzene and two pyrrole rings. It is a heterocyclic analogue of pentacene – one of the most used organic semiconductors – and is considered to be a nitrogen-containing electron-rich heteroacene with a ladder-type structure. It is a potent agonist of the aryl hydrocarbon receptor (AhR) and was found in Brassica family vegetables. Since its electron-donating nature, indolo[3,2-b]carbazole derivative is commonly used as hole transporting, charge injection, host, and electroluminescent materials for OLED and OFET devices with good thermal, chemical, and environmental stability[1].
UsesIndolo[3,2-b]carbazole (ICZ) is a popular class of organic materials for various electronic applications. It has been used in a number of devices such as organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), solar cells, etc. ICZ is an important unit to synthesize various oligomers and polymers with interesting electrical, optical, magnetic and other features[2].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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