Cas no 189-58-2 (anthra[9,1,2-cde]benzo[h]cinnoline)
189-58-2 structure
Product Name:anthra[9,1,2-cde]benzo[h]cinnoline
anthra[9,1,2-cde]benzo[h]cinnoline Chemical and Physical Properties
Names and Identifiers
-
- anthra[9,1,2-cde]benzo[h]cinnoline
- 1,2-Diaza-3,4:9,10-dibenzpyrene
- 1,4:9,10-dibenzpyrene
- AC1L1SBY
- ANTHRA(9,1,2-cde)BENZO(h)CINNOLINE
- BRN 0027200
- Dinaphtho(1,2,3-de:3',2',1'-ij)phthalazine
- NSC30550
- WLN: T D5 B666 O666 2AB A & ON RNJ
- 21,22-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(22),2,4,6,8,10,12,14,16,18,20,23-dodecaene
- 0FR0YL1Z4T
- DTXSID80172279
- 189-58-2
- Dinaphtho[1,3-de:3',2',1'-ij]phthalazine
- NSC-30550
- UNII-0FR0YL1Z4T
- Q27236717
- Anthra[9,2-cde]benzo[h]cinnoline
- NSC 30550
- 4-23-00-02147 (Beilstein Handbook Reference)
-
- Inchi: 1S/C22H12N2/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)22-20(16)19(15)21(17)23-24-22/h1-12H
- InChI Key: COEVWYGSNZUYPJ-UHFFFAOYSA-N
- SMILES: N1C2C3C=CC=CC=3C=C3C=CC4=CC5C=CC=CC=5C(=C4C3=2)N=1
Computed Properties
- Exact Mass: 304.10016
- Monoisotopic Mass: 304.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 446
- 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: 5.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.1564 (rough estimate)
- Boiling Point: 435.17°C (rough estimate)
- Refractive Index: 1.7620 (estimate)
- PSA: 25.78
- LogP: 5.68040
anthra[9,1,2-cde]benzo[h]cinnoline Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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