Cas no 142857-74-7 (Triphenylene-2,3,6,7,10,11-hexacarbonitrile)
142857-74-7 structure
Product Name:Triphenylene-2,3,6,7,10,11-hexacarbonitrile
CAS No:142857-74-7
MF:C24H6N6
MW:378.344643115997
CID:2775387
PubChem ID:15180779
Update Time:2025-04-21
Triphenylene-2,3,6,7,10,11-hexacarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 142857-74-7
- 2,3,6,7,10,11-Triphenylenehexacarbonitrile
- DTXCID30520483
- DB-408549
- SCHEMBL8815916
- DTXSID30569711
- TRIPHENYLENE-2,3,6,7,10,11-HEXACARBONITRILE
- Triphenylene-2,3,6,7,10,11-hexacarbonitrile
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- Inchi: 1S/C24H6N6/c25-7-13-1-19-20(2-14(13)8-26)22-5-17(11-29)18(12-30)6-24(22)23-4-16(10-28)15(9-27)3-21(19)23/h1-6H
- InChI Key: LIMIPAXRMGOYNG-UHFFFAOYSA-N
- SMILES: N#CC1=C(C#N)C=C2C3C=C(C#N)C(C#N)=CC=3C3C=C(C#N)C(C#N)=CC=3C2=C1
Computed Properties
- Exact Mass: 378.06539422Da
- Monoisotopic Mass: 378.06539422Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 0
- Complexity: 802
- 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: 4
- Topological Polar Surface Area: 143?2
Triphenylene-2,3,6,7,10,11-hexacarbonitrile Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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