Cas no 144424-79-3 (5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-)
144424-79-3 structure
Product Name:5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-
CAS No:144424-79-3
MF:C44H50N8
MW:690.921409130096
CID:192955
PubChem ID:5748504
Update Time:2025-04-19
5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- Chemical and Physical Properties
Names and Identifiers
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- 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-
- 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl...
- 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tet
- (5S,11R)-13,16-dimethyl-1,7-bis[(3aR,8aR)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl]-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine
- Calycanthine, 8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indo-3a(1H)-yl)-, (2alpha,3alpha,8(3aR,8aR),8'(3aR,8aR))-
- Calycanthine, 8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2alpha,3'alpha,8(3aR,8aR),8'(3aR,8aR))-
- Psycholeine
- 144424-79-3
- (2R,11S)-5,14-Bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-19,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
- 13,16-Dimethyl-1,7-bis(1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine
- DTXSID20932314
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- Inchi: 1S/C44H50N8/c1-26-25-45-37-43-21-24-52(4)40(49-35-29(13-9-15-31(35)43)41-19-22-50(2)38(41)46-33-17-7-5-11-27(33)41)44(26,43)32-16-10-14-30(36(32)48-37)42-20-23-51(3)39(42)47-34-18-8-6-12-28(34)42/h5-18,26,37-40,45-49H,19-25H2,1-4H3/t26?,37-,38+,39+,40+,41+,42+,43?,44?/m0/s1
- InChI Key: HEDIOFZXUDVGEU-WATQSORBSA-N
- SMILES: N1(C)CCC23C4C=CC=C([C@@]56C7C=CC=CC=7N[C@@H]5N(C)CC6)C=4N[C@H]1C12C2C=CC=C([C@@]45C6C=CC=CC=6N[C@@H]4N(C)CC5)C=2N[C@@H]3NCC1C
Computed Properties
- Exact Mass: 690.41584363g/mol
- Monoisotopic Mass: 690.41584363g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 52
- Rotatable Bond Count: 2
- Complexity: 1430
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 69.9?2
5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
144424-79-3 (5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)-) Related Products
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