Cas no 36944-95-3 (Methanone,(2-phenyl-1,3-indolizinediyl)bis[phenyl- (9CI))
36944-95-3 structure
Product Name:Methanone,(2-phenyl-1,3-indolizinediyl)bis[phenyl- (9CI)
CAS No:36944-95-3
MF:C28H19NO2
MW:401.455967187881
CID:319923
PubChem ID:327854
Update Time:2025-04-19
Methanone,(2-phenyl-1,3-indolizinediyl)bis[phenyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- (3-benzoyl-2-phenylindolizin-1-yl)-phenylmethanone
- NSC-304615
- (2-Phenylindolizine-1,3-diyl)bis(phenylmethanone)
- 36944-95-3
- DTXSID70316564
- NSC304615
- Methanone,(2-phenyl-1,3-indolizinediyl)bis[phenyl- (9CI)
-
- Inchi： 1S/C28H19NO2/c30-27(21-14-6-2-7-15-21)25-23-18-10-11-19-29(23)26(24(25)20-12-4-1-5-13-20)28(31)22-16-8-3-9-17-22/h1-19H
- InChI Key： JTJDGBPYUADWTQ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1=C(C2C=CC=CC=2)C(C(C2C=CC=CC=2)=O)=C2C=CC=CN12
Computed Properties
- Exact Mass: 401.14167
- Monoisotopic Mass: 401.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 627
- 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: 7.1
- Topological Polar Surface Area: 38.6?2
Experimental Properties
- Density: 1.16
- Refractive Index: 1.639
- PSA: 38.55
- LogP: 6.06830
Methanone,(2-phenyl-1,3-indolizinediyl)bis[phenyl- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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