9-Phenyl-9H,9'H-[3,3']bicarbazolyl
- Iupac Name：3-(9H-carbazol-3-yl)-9-phenylcarbazole
- CAS No.: 1060735-14-9
- Molecular Weight：408.504
- Modify Date.: 2022-11-22 15:48
- Introduction:
9-phenyl-3,3’-bicarbazolyl is the intermediate to synthesis electronic materials, such as OLED.9-phenyl-3,3’-bicarbazolyl is a kind of organic electroluminescent materials to make OLED display screen, and this intermediate can be used in OLED series, such as Thiophene series, Fluorene series, Boronic Acid series and so on.
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1. Names and Identifiers
- 1.1 Name
- 9-Phenyl-9H,9'H-[3,3']bicarbazolyl
- 1.2 Synonyms
.3-(9-phenyl-9H-carbazol-3-yl)-9H-carbazole .9-phenyl-3,3'-bi(9H-carbazol) .9-phenyl-3,3'-bi(9H-carbazole) .9-phenyl-9H,9'H-[3,3']bicarbazolyl .PCC 3-(9-Phenyl-9H-carbazol-3-yl)-9H-carbazole 3-(9-phenyl-carbazol-3-yl)-9H-carbazole 3,3'-Bi-9H-carbazole, 9-phenyl- 9-phenyl-3,3'-bicarbazole 9-Phenyl-3,3'-bicarbazolyl 9'-Phenyl-9H,9H'-[3,3']bicarbazolyl 9-phenyl-9H,9'H-3,3'-bicarbazole N-Phenyl-3,3'-bicarbazolyl
- 1.3 CAS No.
- 1060735-14-9
- 1.4 CID
- 59306629
- 1.5 EINECS(EC#)
- 1312995-182-4
- 1.6 Molecular Formula
- C30H20N2 (isomer)
- 1.7 Inchi
- InChI=1S/C30H20N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-19,31H
- 1.8 InChkey
- GKTLHQFSIDFAJH-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=CC=CC=C65)C7=CC=CC=C72
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=CC=CC=C65)C7=CC=CC=C72
2. Properties
- 2.1 Density
- 1.23±0.1 g/cm3(Predicted)
- 2.1 Boiling point
- 685.6±37.0 °C(Predicted)
- 2.1 Refractive index
- 1.714
- 2.1 Flash Point
- 368.5±26.5 °C
- 2.1 Precise Quality
- 408.16300
- 2.1 PSA
- 20.72000
- 2.1 logP
- 8.08520
- 2.1 Solubility
- Insuluble (1.1E-6 g/L) (25 oC),
- 2.2 pKa
- 17.10±0.30(Predicted)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
1060735-14-9Total: 4 Synthesis Route
6. Computational chemical data
- Molecular Weight: 408.504g/mol
- Molecular Formula: C30H20N2
- Compound Is Canonicalized: True
- XLogP3-AA: 8.1
- Exact Mass: 408.162648646
- Monoisotopic Mass: 408.162648646
- Complexity: 655
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 20.7
- Heavy Atom Count: 32
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7AAAAAAAAAAAAAAAAAAAAAWLAAAAwYMGDAAAAAFgB/gAAHAAQAAAADAiBHgAwwPPNkACgAyRiRACCgCAhAiAImSAwZJgIIOLAkZGEIAhgkADIyAcQgMAOiAACAAACAAAQAAQAAAQAAAAAAAAAAA==
7. Question & Answer
-
9-phenyl-3,3’-bicarbazolyl is the intermediate to synthesis electronic materials, such as OLED. OLED (Organic Light Emitting Diodes) is a flat light emitting technology, made by placing a series of organic thin films between two conductors. When electrical current is applied, a bright light i...
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9. Realated Product Infomation
![9-Phenyl-9H,9'H-[3,3']bicarbazolyl structure](http://structimg.guidechem.com/11/11/1557490.png)
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