Cas no 258834-70-7 (2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis-)
258834-70-7 structure
Product Name:2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis-
CAS No:258834-70-7
MF:C37H26N6
MW:554.642547130585
CID:254478
PubChem ID:57701770
Update Time:2025-04-19
2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis-
- 4',4''''-(5-METHYL-1,3-PHENYLENE)BIS-2,2':6',2''-TERPYRIDINE
- 1,3,5-Triazatricyclo(3.3.1.13,7)decane,7-methyl
- 1,3-bis(2,2':6',2''-terpyridin-4'-yl)-5-methylbenzene
- 1-Methyl-3,5,7-triazatricyclo<3.3.1.13.7>decan
- 1-methyl-3,5-bis(2,2':6',2''-terpyridin-4'yl)benzene
- 7-methyl-1,3,5-triazatricyclo[3.3.1.13,7]decane
- 4,4'''-(5-Methyl-1,3-phenylene)di-2,2':6',2''-terpyridine
- 258834-70-7
-
- Inchi： 1S/C37H26N6/c1-25-20-28(26-14-18-40-36(23-26)34-12-6-10-32(42-34)30-8-2-4-16-38-30)22-29(21-25)27-15-19-41-37(24-27)35-13-7-11-33(43-35)31-9-3-5-17-39-31/h2-24H,1H3
- InChI Key： PLEDKRARQVSEKF-UHFFFAOYSA-N
- SMILES： N1C=CC(=CC=1C1C=CC=C(C2C=CC=CN=2)N=1)C1C=C(C)C=C(C2C=CN=C(C3C=CC=C(C4C=CC=CN=4)N=3)C=2)C=1
Computed Properties
- Exact Mass: 554.22200
- Monoisotopic Mass: 554.222
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 43
- Rotatable Bond Count: 6
- Complexity: 735
- 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: 77.3A^2
- XLogP3: 5.9
Experimental Properties
- Density: 1.214
- Boiling Point: 709.5°Cat760mmHg
- Flash Point: 385.4°C
- Refractive Index: 1.652
- PSA: 77.34000
- LogP: 8.36700
2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
258834-70-7 (2,2':6',2''-Terpyridine,4',4''''-(5-methyl-1,3-phenylene)bis-) Related Products
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