Cas no 158453-41-9 (Methanone,di-10H-quindolin-11-yl-)
158453-41-9 structure
Product Name:Methanone,di-10H-quindolin-11-yl-
CAS No:158453-41-9
MF:C31H18N4O
MW:462.500826358795
CID:231615
Update Time:2024-03-01
Methanone,di-10H-quindolin-11-yl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,di-10H-quindolin-11-yl-
- Cryptomisrine
- Methanone, di-10H-quindolin-11-yl-
-
- Inchi： 1S/C31H18N4O/c36-31(25-17-9-1-5-13-21(17)32-27-19-11-3-7-15-23(19)34-29(25)27)26-18-10-2-6-14-22(18)33-28-20-12-4-8-16-24(20)35-30(26)28/h1-16,34-35H
- InChI Key： BOMINIHNGZWSLU-UHFFFAOYSA-N
- SMILES： O=C(C1C2C(=CC=CC=2)N=C2C=1NC1C2=CC=CC=1)C1C2C(=CC=CC=2)N=C2C=1NC1C2=CC=CC=1
Computed Properties
- Exact Mass: 462.14824
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 36
- XLogP3: 3.974
Experimental Properties
- Density: 1.466±0.06 g/cm3(Predicted)
- Boiling Point: 828.3±60.0 °C(Predicted)
- PSA: 74.43
- pka: 12.89±0.40(Predicted)
Methanone,di-10H-quindolin-11-yl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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