Cas no 5691-36-1 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 12-(2-phenylethyl)benzo[a]anthracene
- 12-(2-phenylethyl)tetraphene
- 12-Phenethyl-benz(a)anthracen
- 12-phenethylbenzo[a]anthracene
- AC1L6C03
- AC1Q1IPW
- AG-K-40055
- AR-1C0581
- CTK5A5901
- NSC99591
- 5691-36-1
- NSC-99591
- DTXSID80295093
-
-
- Inchi: 1S/C26H20/c1-2-8-19(9-3-1)14-17-25-23-12-6-5-11-21(23)18-22-16-15-20-10-4-7-13-24(20)26(22)25/h1-13,15-16,18H,14,17H2
- InChI Key: GVEJRGCTBREUQR-UHFFFAOYSA-N
- SMILES: C1(C2C=CC=CC=2C=C2C=CC3C=CC=CC=3C=12)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 332.1566
- Monoisotopic Mass: 332.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 447
- 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: 0?2
Experimental Properties
- PSA: 0
- LogP: 6.93140
Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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