Cas no 238402-21-6 (5,10,15-Tri(pentafluorophenyl)corrole)
238402-21-6 structure
Product Name:5,10,15-Tri(pentafluorophenyl)corrole
CAS No:238402-21-6
MF:C37H9F15N4
MW:794.470220327377
CID:253815
PubChem ID:50878545
Update Time:2025-04-19
5,10,15-Tri(pentafluorophenyl)corrole Chemical and Physical Properties
Names and Identifiers
-
- 5,10,15-Tri(pentafluorophenyl)corrole
- 238402-21-6
- SCHEMBL1640968
- AKOS005145678
- 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-21H-corrin
-
- Inchi： 1S/C37H9F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17-11-3-1-9(53-11)10-2-4-12(54-10)18(21-25(40)31(46)36(51)32(47)26(21)41)14-6-8-16(56-14)19(15-7-5-13(17)55-15)22-27(42)33(48)37(52)34(49)28(22)43/h1-8,53H/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+
- InChI Key： AVYBSXBGTRSCST-IXCVTHGBSA-N
- SMILES： FC1C(=C(C(=C(C=1C1C2C=CC(=C(C3C(=C(C(=C(C=3F)F)F)F)F)C3C=CC(=C(C4C(=C(C(=C(C=4F)F)F)F)F)C4C=CC(=C5C=CC=1N5)N=4)N=3)N=2)F)F)F)F |c:12,29,46,50|
Computed Properties
- Exact Mass: 794.05900
- Monoisotopic Mass: 794.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 56
- Rotatable Bond Count: 3
- Complexity: 2000
- 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
- Topological Polar Surface Area: 49.1A^2
- XLogP3: 9.6
Experimental Properties
- Color/Form: Not available
- PSA: 52.87000
- LogP: 6.58380
- Solubility: Not available
5,10,15-Tri(pentafluorophenyl)corrole Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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