Cas no 133792-15-1 ([1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-)
133792-15-1 structure
Product Name:[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-
CAS No:133792-15-1
MF:C21H17N
MW:283.366385221481
CID:105753
PubChem ID:20625416
Update Time:2025-04-18
[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-
- 4-CYANO-4'-ETHYL-P,P-TERPHENYL
- 2CT
- 4-cyano-4'-ethylterphenyl
- 4''-N-ETHYL-1,1':4',1''-TERPHENYL-4-CARBONITRILE
- 133792-15-1
- AKOS024389658
- SCHEMBL10243323
- 4-[4-(4-ethylphenyl)phenyl]benzonitrile
- 4-[4-(4-ethylphenyl)phenyl]benzenecarbonitrile
- FT-0718814
-
- Inchi: 1S/C21H17N/c1-2-16-3-7-18(8-4-16)20-11-13-21(14-12-20)19-9-5-17(15-22)6-10-19/h3-14H,2H2,1H3
- InChI Key: IOBZCOSZOOUKNS-UHFFFAOYSA-N
- SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 283.13600
- Monoisotopic Mass: 283.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79000
- LogP: 5.45468
[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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