Cas no 164025-88-1 (1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]-)
164025-88-1 structure
Product Name:1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]-
CAS No:164025-88-1
MF:C48H30
MW:606.751812458038
CID:1343491
PubChem ID:15640933
Update Time:2025-04-20
1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]-
- 1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
- 164025-88-1
- DTXSID10576160
- 4,4''-Bis(phenylethynyl)-5'-(4-(phenylethynyl)phenyl)-1,1':3',1''-terphenyl
- 1,3,5-tris[4-(phenylethynyl)phenyl]benzene
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- Inchi: 1S/C48H30/c1-4-10-37(11-5-1)16-19-40-22-28-43(29-23-40)46-34-47(44-30-24-41(25-31-44)20-17-38-12-6-2-7-13-38)36-48(35-46)45-32-26-42(27-33-45)21-18-39-14-8-3-9-15-39/h1-15,22-36H
- InChI Key: OLHPWSBJPACORD-UHFFFAOYSA-N
- SMILES: C1(C2C=CC(C#CC3C=CC=CC=3)=CC=2)C=C(C2C=CC(C#CC3C=CC=CC=3)=CC=2)C=C(C2C=CC(C#CC3C=CC=CC=3)=CC=2)C=1
Computed Properties
- Exact Mass: 606.2349
- Monoisotopic Mass: 606.234750957g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 48
- Rotatable Bond Count: 9
- Complexity: 1010
- 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: 12.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
164025-88-1 (1,1':3',1''-Terphenyl, 4,4''-bis(phenylethynyl)-5'-[4-(phenylethynyl)phenyl]-) Related Products
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