Cas no 131268-46-7 (9,10-Anthracenedione, 2,6-diphenyl-)
131268-46-7 structure
Product Name:9,10-Anthracenedione, 2,6-diphenyl-
CAS No:131268-46-7
MF:C26H16O2
MW:360.404047012329
CID:1227757
PubChem ID:11728098
Update Time:2025-04-20
9,10-Anthracenedione, 2,6-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 2,6-diphenyl-
- 2,6-diphenylanthracene-9,10-dione
- DB-127484
- 2,6-diphenyl-9,10-anthracenedione
- 131268-46-7
- SCHEMBL4410719
- DTXSID20471213
-
- Inchi： 1S/C26H16O2/c27-25-22-14-12-20(18-9-5-2-6-10-18)16-24(22)26(28)21-13-11-19(15-23(21)25)17-7-3-1-4-8-17/h1-16H
- InChI Key： JFAGSNBTRRMHBA-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC(C3C=CC=CC=3)=CC=2C(C2C=CC(C3C=CC=CC=3)=CC=21)=O
Computed Properties
- Exact Mass: 360.11508
- Monoisotopic Mass: 360.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 531
- 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: 6.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
9,10-Anthracenedione, 2,6-diphenyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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