Cas no 62063-68-7 (1,1':2',1''-Terphenyl, 4,4''-dinitro-3',4',5',6'-tetraphenyl-)
62063-68-7 structure
Product Name:1,1':2',1''-Terphenyl, 4,4''-dinitro-3',4',5',6'-tetraphenyl-
CAS No:62063-68-7
MF:C42H28N2O4
MW:624.682730674744
CID:459305
PubChem ID:71390320
Update Time:2025-04-19
1,1':2',1''-Terphenyl, 4,4''-dinitro-3',4',5',6'-tetraphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':2',1''-Terphenyl, 4,4''-dinitro-3',4',5',6'-tetraphenyl-
- 1,2-bis(4-nitrophenyl)-3,4,5,6-tetraphenylbenzene
- 62063-68-7
- DTXSID50812231
-
- Inchi： 1S/C42H28N2O4/c45-43(46)35-25-21-33(22-26-35)41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)42(41)34-23-27-36(28-24-34)44(47)48/h1-28H
- InChI Key： NMFIFWLVMJXTPC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=1C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 624.20504
- Monoisotopic Mass: 624.20490738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 48
- Rotatable Bond Count: 6
- Complexity: 933
- 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: 11.3
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
1,1':2',1''-Terphenyl, 4,4''-dinitro-3',4',5',6'-tetraphenyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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