Cas no 585538-28-9 (5,12-Dibromorubicene-1,8-dicarbonitrile)
585538-28-9 structure
Product Name:5,12-Dibromorubicene-1,8-dicarbonitrile
CAS No:585538-28-9
MF:C28H10Br2N2
MW:534.200404644012
CID:2833624
PubChem ID:71440733
Update Time:2025-04-21
5,12-Dibromorubicene-1,8-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70849701
- 585538-28-9
- 5,12-DIBROMORUBICENE-1,8-DICARBONITRILE
- 5,12-Dibromorubicene-1,8-dicarbonitrile
-
- Inchi： 1S/C28H10Br2N2/c29-15-3-7-19-21(9-15)17-5-1-13(11-31)23-25(17)28(19)24-14(12-32)2-6-18-22-10-16(30)4-8-20(22)27(23)26(18)24/h1-10H
- InChI Key： BLMXMMHPXOZRQJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C1C=CC(C#N)=C3C4C5C=CC(=CC=5C5=CC=C(C#N)C(=C2C3=1)C=45)Br
Computed Properties
- Exact Mass: 533.91902Da
- Monoisotopic Mass: 531.92107Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 812
- 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
- XLogP3: 7.9
- Topological Polar Surface Area: 47.6?2
5,12-Dibromorubicene-1,8-dicarbonitrile Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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