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4-(2-{4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-4-phenyl-2-quinazolinyl]phenyl}-4-phenyl-6-quinazolinyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
SpectraBase Compound ID DIzua3DkQJV
InChI InChI=1S/C52H36N6O4/c59-49-41-31-15-16-32(23-31)42(41)50(60)57(49)35-19-21-39-37(25-35)45(27-7-3-1-4-8-27)55-47(53-39)29-11-13-30(14-12-29)48-54-40-22-20-36(26-38(40)46(56-48)28-9-5-2-6-10-28)58-51(61)43-33-17-18-34(24-33)44(43)52(58)62/h1-22,25-26,31-34,41-44H,23-24H2
InChIKey MXGYEUOSSKDOII-UHFFFAOYSA-N
Mol Weight 808.9 g/mol
Molecular Formula C52H36N6O4
Exact Mass 808.279804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kr21YmikDiB
Name 4-(2-{4-[6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-4-phenyl-2-quinazolinyl]phenyl}-4-phenyl-6-quinazolinyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C52H36N6O4/c59-49-41-31-15-16-32(23-31)42(41)50(60)57(49)35-19-21-39-37(25-35)45(27-7-3-1-4-8-27)55-47(53-39)29-11-13-30(14-12-29)48-54-40-22-20-36(26-38(40)46(56-48)28-9-5-2-6-10-28)58-51(61)43-33-17-18-34(24-33)44(43)52(58)62/h1-22,25-26,31-34,41-44H,23-24H2
InChIKey MXGYEUOSSKDOII-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_287
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/6026526; UBI_ID: UBI-000288
Temperature 313 °C