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Home> Hot Product Listed P   > Pyrrolo[2,3-c]azepin-8(1H)-one,4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-4,5,6,7-tetrahydro-, (-)-
119546-69-9 structure

Pyrrolo[2,3-c]azepin-8(1H)-one,4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-4,5,6,7-tetrahydro-, (-)-

Iupac Name:4-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CAS No.:119546-69-9
Molecular Weight:488.634
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

4-(2-amino-3h-imidazol-4-yl)-2,3-dibromo-1h,4h,5h,6h,7h-pyrrolo[2,3-c]azepin-8-one 4,5-Dihydrostevensine bdbm59117 CHEMBL151430 DTXSID30433004 hymenialdisine, 11b Hymenin Hymenine Pyrrolo[2,3-c]azepin-8(1H)-one,4-(2-amino-1H-imidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-, (-)- (9CI) RT-013163 SCHEMBL13636666

Inchi
InChI=1S/C36H28N2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-35-23-15-31(16-24-35)32-17-25-36(26-18-32)38-34-21-13-30(14-22-34)28-9-5-2-6-10-28/h1-26,37-38H
InChkey
WMZSBQFUEJWRKJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)C6=CC=CC=C6
Properties
Density
1.205
Boiling Point
140.5°Cat760mmHg
Flash Point
190°C
Computational chemical data
  • Molecular Weight:488.634g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:488.225
  • Monoisotopic Mass:488.225
  • Complexity:589
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.1A^2
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB/AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAHAAQAAAADAiBGAAwwILAAACA AiRCQACCAAAhAgAIiAAAZIgIIGLAkZGEIAhgkADIyAcQgMAOiAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
 
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