Cas no 246-42-4 (5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine)
![5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine structure](https://ossimg.kuujia.com/scimg/500/246-42-4x500.png)
246-42-4 structure
Product Name:5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine
5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine Chemical and Physical Properties
Names and Identifiers
-
- 5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine
- 2,8,17,23,31,33-Hexaazaheptacyclo[22.6.1.1~3,7~.1~9,16~.1~18,22~.0~10,15~.0~25,30~]tetratriaconta-1,3(34),4,6,8,10,12,14,16,18(32),19,21,23,25,27,29-hexadecaene
- 5,26:13.18-Diimino-7,11:20,24-dimethenodibenzo(c,N)(1,6,12,17)tetraazacyclodocosine
- DTXSID001019505
- 7,13,20,26-Tetraaza-8,12,21,25-diphenylenediisoindoline
- PITGSQSQGJDIOP-UHFFFAOYSA-N
- 5,26:13.18-Diimino-7,11:20,24-dimethenodibenzo[c,N][1,6,12,17]tetraazacyclodocosine
- 2,8,17,23,31,33-hexaazaheptacyclo[22.6.1.1(3,7).1(9,16).1(18,22).0(10,15).0(25,30)]tetratriaconta-1(31),3(34),4,6,8,10,12,14,16(33),18(32),19,21,23,25,27,29-hexadecaene
- 246-42-4
-
- Inchi： 1S/C28H18N6/c1-2-12-22-21(11-1)25-29-17-7-5-9-19(15-17)31-27-23-13-3-4-14-24(23)28(34-27)32-20-10-6-8-18(16-20)30-26(22)33-25/h1-16H,(H,29,30,33)(H,31,32,34)
- InChI Key： PITGSQSQGJDIOP-UHFFFAOYSA-N
- SMILES： N1C2C=CC=C(C=2)NC2C3C=CC=CC=3C(=NC3=CC=CC(=C3)N=C3C4C=CC=CC=4C1=N3)N=2 |t:17,26|
Computed Properties
- Exact Mass: 436.14388
- Monoisotopic Mass: 438.159295
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 34
- Rotatable Bond Count: 0
- Complexity: 592
- 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: 83.1
- XLogP3: 4.1
Experimental Properties
- Density: 1.4
- Boiling Point: 789.2°Cat760mmHg
- Flash Point: 477.7°C
- Refractive Index: 1.857
- PSA: 77.34
5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
246-42-4 (5,26:13,18-Diimino-7,11:20,24-dimethenodibenzo[c,n][1,6,12,17]tetraazacyclodocosine) Related Products
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