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6-(2,3,4,5,6-pentakis-phenylphenyl)-9-(phenylmethyl)purine
SpectraBase Compound ID 8p001AcwzAU
InChI InChI=1S/C48H34N4/c1-7-19-34(20-8-1)31-52-33-51-47-46(49-32-50-48(47)52)45-43(38-27-15-5-16-28-38)41(36-23-11-3-12-24-36)40(35-21-9-2-10-22-35)42(37-25-13-4-14-26-37)44(45)39-29-17-6-18-30-39/h1-30,32-33H,31H2
InChIKey VCIZCCFKPRHQNI-UHFFFAOYSA-N
Mol Weight 666.8 g/mol
Molecular Formula C48H34N4
Exact Mass 666.278347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwyAln6QGSv
Name 6-(2,3,4,5,6-pentakis-phenylphenyl)-9-(phenylmethyl)purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H34N4
InChI InChI=1S/C48H34N4/c1-7-19-34(20-8-1)31-52-33-51-47-46(49-32-50-48(47)52)45-43(38-27-15-5-16-28-38)41(36-23-11-3-12-24-36)40(35-21-9-2-10-22-35)42(37-25-13-4-14-26-37)44(45)39-29-17-6-18-30-39/h1-30,32-33H,31H2
InChIKey VCIZCCFKPRHQNI-UHFFFAOYSA-N
Molecular Weight 666.828 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2-c1c(c(-c2ccccc2)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-00kf-9000018000-d1793b2f2479addadc2f
Source of Spectrum Y2-70-346-3
Synonyms 9-Benzyl-6-(2,3,4,5,6-pentakis-phenylphenyl)purine
Wiley ID 1587457