Cas no 918338-14-4 (1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene)
![1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene structure](https://ossimg.kuujia.com/scimg/918500/918338-14-4x500.png)
918338-14-4 structure
Product Name:1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CAS No:918338-14-4
MF:C58H38
MW:734.922335147858
CID:777372
Update Time:2023-08-03
1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl-3,5-bis(2-phenylethynyl)-
- 1-[3,5-bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
- PUBCHEM_71427476
- 1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
-
- Inchi： 1S/C58H38/c1-8-22-43(23-9-1)36-38-45-40-46(39-37-44-24-10-2-11-25-44)42-52(41-45)58-56(50-32-18-6-19-33-50)54(48-28-14-4-15-29-48)53(47-26-12-3-13-27-47)55(49-30-16-5-17-31-49)57(58)51-34-20-7-21-35-51/h1-35,40-42H
- InChI Key： UQIVZUSVIAIGNC-UHFFFAOYSA-N
- SMILES： C1(C2C=C(C#CC3C=CC=CC=3)C=C(C#CC3C=CC=CC=3)C=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=1C1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 58
- Rotatable Bond Count: 10
- Complexity: 1260
- Topological Polar Surface Area: 0
1-[3,5-Bis(2-phenylethynyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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