Cas no 29778-26-5 (4-t-butyl diphenylacetylene)
4-t-butyl diphenylacetylene structure
Product Name:4-t-butyl diphenylacetylene
CAS No:29778-26-5
MF:C18H18
MW:234.335525035858
CID:915713
PubChem ID:15921873
Update Time:2025-04-19
4-t-butyl diphenylacetylene Chemical and Physical Properties
Names and Identifiers
-
- 4-t-butyl diphenylacetylene
- 1-tert-butyl-4-(2-phenylethynyl)benzene
- 4-TERT-BUTYL DIPHENYLACETYLENE
- 1-tert-Butyl-4-phenylethynyl-benzene
- MNMXMEZTNDLNIU-UHFFFAOYSA-N
- 1-(tert-butyl)-4-(phenylethynyl)benzene
- 29778-26-5
- 1-tert-Butyl-4-(phenylethynyl)benzene
- (p-t-butylphenylethynyl)benzene
- DTXSID60579666
-
- Inchi： 1S/C18H18/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
- InChI Key： MNMXMEZTNDLNIU-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=CC(C#CC2C=CC=CC=2)=CC=1
Computed Properties
- Exact Mass: 234.14100
- Monoisotopic Mass: 234.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 6.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 4.38390
4-t-butyl diphenylacetylene Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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