Cas no 129693-89-6 (Benzo[lmn][3,8]phenanthrolinium,2-methyl-)
![Benzo[lmn][3,8]phenanthrolinium,2-methyl- structure](https://ossimg.kuujia.com/scimg/130000/129693-89-6x500.png)
129693-89-6 structure
Product Name:Benzo[lmn][3,8]phenanthrolinium,2-methyl-
CAS No:129693-89-6
MF:C15H11N2
MW:219.261243104935
CID:141225
PubChem ID:125389
Update Time:2025-04-19
Benzo[lmn][3,8]phenanthrolinium,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[lmn][3,8]phenanthrolinium,2-methyl-
- N-methyl-2,7-diazapyrenium
- 2-methylbenzo[lmn][3,8]phenanthrolin-2-ium
- Benzo(lmn)(3,8)phenanthrolinium, 2-methyl-
- 129693-89-6
- 6-methyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
- DTXSID90156222
- SCHEMBL3956425
-
- Inchi： 1S/C15H11N2/c1-17-8-12-4-2-10-6-16-7-11-3-5-13(9-17)15(12)14(10)11/h2-9H,1H3/q+1
- InChI Key： BNSBLOJAOBUSCP-UHFFFAOYSA-N
- SMILES： [N+]1(C)C=C2C=CC3=CN=CC4C=CC(C=1)=C2C=43
Computed Properties
- Exact Mass: 219.09233
- Monoisotopic Mass: 219.092223
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 277
- 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: 16.8
- XLogP3: 3
Experimental Properties
- PSA: 16.77
Benzo[lmn][3,8]phenanthrolinium,2-methyl- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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