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2,4-Diphenyl-11H-pyrimido[4,5-b]benzo[e]indole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,4-Diphenyl-11H-pyrimido[4,5-b]benzo[e]indole
SpectraBase Compound ID BEJTQu7Utcq
InChI InChI=1S/C26H17N3/c1-3-10-18(11-4-1)24-23-22-20-14-8-7-9-17(20)15-16-21(22)27-26(23)29-25(28-24)19-12-5-2-6-13-19/h1-16H,(H,27,28,29)
InChIKey CBXDMMFYAOJPQZ-UHFFFAOYSA-N
Mol Weight 371.44 g/mol
Molecular Formula C26H17N3
Exact Mass 371.142248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xwfxpWOrET
Name 2,4-Diphenyl-11H-pyrimido[4,5-B]benzo[E]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.142247559 u
Formula C26H17N3
InChI InChI=1S/C26H17N3/c1-3-10-18(11-4-1)24-23-22-20-14-8-7-9-17(20)15-16-21(22)27-26(23)29-25(28-24)19-12-5-2-6-13-19/h1-16H,(H,27,28,29)
InChIKey CBXDMMFYAOJPQZ-UHFFFAOYSA-N
Molecular Weight 371.443 g/mol
SMILES C1=CC2=C(C3=C1NC=1C3=C(N=C(N1)C1=CC=CC=C1)C1=CC=CC=C1)C=CC=C2