Cas no 72454-49-0 (triphenylene picric acid)
triphenylene picric acid structure
Product Name:triphenylene picric acid
CAS No:72454-49-0
MF:C24H15N3O7
MW:457.391805887222
CID:862590
PubChem ID:53471191
Update Time:2025-04-19
triphenylene picric acid Chemical and Physical Properties
Names and Identifiers
-
- triphenylene picric acid
- 2,4,6-trinitrophenol,triphenylene
- 72454-49-0
- DTXSID00703589
- 2,4,6-Trinitrophenol--triphenylene (1/1)
-
- Inchi： 1S/C18H12.C6H3N3O7/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12H;1-2,10H
- InChI Key： NTQMMCYORZIELQ-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C12=CC=CC=C1C1C=CC=CC=1C1C=CC=CC2=1
Computed Properties
- Exact Mass: 457.09105
- Monoisotopic Mass: 457.09099983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 0
- Complexity: 508
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 149.65
triphenylene picric acid Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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