Cas no 832744-40-8 (Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)-)
![Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)- structure](https://ossimg.kuujia.com/scimg/833000/832744-40-8x500.png)
832744-40-8 structure
Product Name:Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)-
CAS No:832744-40-8
MF:C36H30
MW:462.623409748077
CID:673778
PubChem ID:71415700
Update Time:2025-04-19
Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)-
- 1-hexyl-4-[2-[3-[2-[3-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]benzene
- 1-[(4-Hexylphenyl)ethynyl]-3-{[3-(phenylethynyl)phenyl]ethynyl}benzene
- 832744-40-8
- DTXSID80835110
-
- Inchi： 1S/C36H30/c1-2-3-4-6-13-31-18-20-32(21-19-31)23-25-34-15-10-17-36(29-34)27-26-35-16-9-14-33(28-35)24-22-30-11-7-5-8-12-30/h5,7-12,14-21,28-29H,2-4,6,13H2,1H3
- InChI Key： YMFBKDJBIGCWPS-UHFFFAOYSA-N
- SMILES： C(CCC)CCC1C=CC(C#CC2C=CC=C(C#CC3C=CC=C(C#CC4C=CC=CC=4)C=3)C=2)=CC=1
Computed Properties
- Exact Mass: 462.234750957g/mol
- Monoisotopic Mass: 462.234750957g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 36
- Rotatable Bond Count: 11
- Complexity: 837
- 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: 11.6
- Topological Polar Surface Area: 0?2
Benzene, 1-[[3-[(4-hexylphenyl)ethynyl]phenyl]ethynyl]-3-(phenylethynyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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