Cas no 62196-41-2 (1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl-)
62196-41-2 structure
Product Name:1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl-
CAS No:62196-41-2
MF:C42H46
MW:550.814651966095
CID:454710
PubChem ID:12388100
Update Time:2025-04-19
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl-
- 1,4-bis[4-(4-hexylphenyl)phenyl]benzene
- 1~4~,5~4~-Dihexyl-1~1~,2~1~:2~4~,3~1~:3~4~,4~1~:4~4~,5~1~-quinquephenyl
- DTXSID00495876
- 62196-41-2
-
- Inchi： 1S/C42H46/c1-3-5-7-9-11-33-13-17-35(18-14-33)37-21-25-39(26-22-37)41-29-31-42(32-30-41)40-27-23-38(24-28-40)36-19-15-34(16-20-36)12-10-8-6-4-2/h13-32H,3-12H2,1-2H3
- InChI Key： ZXCZEDOBOPSZQH-UHFFFAOYSA-N
- SMILES： C(CC1C=CC(C2C=CC(=CC=2)C2C=CC(=CC=2)C2C=CC(=CC=2)C2C=CC(=CC=2)CCCCCC)=CC=1)CCCC
Computed Properties
- Exact Mass: 550.36018
- Monoisotopic Mass: 550.359951467g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 42
- Rotatable Bond Count: 14
- Complexity: 609
- 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: 14.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
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
62196-41-2 (1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl, 4,4''''-dihexyl-) Related Products
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