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1,3-Bis[((1'-(4-methylbenzyl)-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl)methyl]benzene
SpectraBase Compound ID A0egagBT3wa
InChI InChI=1S/C56H46N4O2/c1-37-22-26-39(27-23-37)33-59-51-20-9-5-16-45(51)53(55(59)61)47-35-57(49-18-7-3-14-43(47)49)31-41-12-11-13-42(30-41)32-58-36-48(44-15-4-8-19-50(44)58)54-46-17-6-10-21-52(46)60(56(54)62)34-40-28-24-38(2)25-29-40/h3-30,35-36,53-54H,31-34H2,1-2H3
InChIKey VGPDUONTZPFGQL-UHFFFAOYSA-N
Mol Weight 807.0 g/mol
Molecular Formula C56H46N4O2
Exact Mass 806.362077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RLBXhNJKL
Name 1,3-Bis[((1'-(4-methylbenzyl)-1',3'-dihydro-1'H-[3,3']biindolyl-2'-on)-1-yl)methyl]benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H46N4O2
InChI InChI=1S/C56H46N4O2/c1-37-22-26-39(27-23-37)33-59-51-20-9-5-16-45(51)53(55(59)61)47-35-57(49-18-7-3-14-43(47)49)31-41-12-11-13-42(30-41)32-58-36-48(44-15-4-8-19-50(44)58)54-46-17-6-10-21-52(46)60(56(54)62)34-40-28-24-38(2)25-29-40/h3-30,35-36,53-54H,31-34H2,1-2H3
InChIKey VGPDUONTZPFGQL-UHFFFAOYSA-N
Molecular Weight 807.010 g/mol
SMILES C1(N(c2c(C1c1c[n](Cc3cc(C[n]4cc(C5C(N(Cc6ccc(cc6)C)c6c5cccc6)=O)c5c4cccc5)ccc3)c3c1cccc3)cccc2)Cc1ccc(cc1)C)=O
SPLASH splash10-0udj-0098210210-b3859676ddaac3a236b5
Source of Spectrum F-68-1602-12h
Wiley ID 1707758