Cas no 108832-86-6 (5,7a-Etheno-7aH-indole-1(2H)-carboxamide,4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl-)
108832-86-6 structure
Product Name:5,7a-Etheno-7aH-indole-1(2H)-carboxamide,4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl-
CAS No:108832-86-6
MF:C30H24N2O2
MW:444.523767471313
CID:128183
Update Time:2024-01-24
5,7a-Etheno-7aH-indole-1(2H)-carboxamide,4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5,7a-Etheno-7aH-indole-1(2H)-carboxamide,4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl-
- 4-Methyl-6,6-diphenyl-2-(N-phenylcarbamoyl)-2-azatricyclo[5.2.2.0(1,5) ]undeca-4,8,10-trien-3-one
- 5,7a-Etheno-7aH-indole-1(2H)-carboxamide, 4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl-
-
- Inchi： 1S/C30H24N2O2/c1-21-26-29(32(27(21)33)28(34)31-25-15-9-4-10-16-25)19-17-24(18-20-29)30(26,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,24H,1H3,(H,31,34)
- InChI Key： UUYMAGWPSNOJGL-UHFFFAOYSA-N
- SMILES： N1(C(NC2=CC=CC=C2)=O)C23C=CC(C=C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C3=C(C)C1=O
Computed Properties
- Exact Mass: 444.18392
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Melting Point: 156.5-158 °C
- PSA: 49.41
- pka: 11.56±0.70(Predicted)
5,7a-Etheno-7aH-indole-1(2H)-carboxamide,4,5-dihydro-3-methyl-2-oxo-N,4,4-triphenyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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