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10-Phenylcarbonyl-4-(4'-phenylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole

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10-Phenylcarbonyl-4-(4'-phenylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole
SpectraBase Compound ID JYYElallQhm
InChI InChI=1S/C42H37N3O2/c1-2-3-4-5-6-13-27-45-40-37-28-33(42(47)31-17-11-8-12-18-31)25-26-35(37)36-20-14-19-34(38(36)39(40)43-44-45)29-21-23-32(24-22-29)41(46)30-15-9-7-10-16-30/h7-12,14-26,28H,2-6,13,27H2,1H3
InChIKey RALQMLJHJCLFGM-UHFFFAOYSA-N
Mol Weight 615.8 g/mol
Molecular Formula C42H37N3O2
Exact Mass 615.288577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MCuwZ7o0Hc
Name 10-Phenylcarbonyl-4-(4'-phenylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole
Alternate Name(s) (4-(10-benzoyl-1-octyl-1H-phenanthro[9,10-d][1,2,3]triazol-4-yl)phenyl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H37N3O2
InChI InChI=1S/C42H37N3O2/c1-2-3-4-5-6-13-27-45-40-37-28-33(42(47)31-17-11-8-12-18-31)25-26-35(37)36-20-14-19-34(38(36)39(40)43-44-45)29-21-23-32(24-22-29)41(46)30-15-9-7-10-16-30/h7-12,14-26,28H,2-6,13,27H2,1H3
InChIKey RALQMLJHJCLFGM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1005517
Molecular Weight 615.777 g/mol
SMILES c12c3c([n](nn3)CCCCCCCC)c3c(ccc(c3)C(c3ccccc3)=O)c1cccc2-c1ccc(cc1)C(=O)c1ccccc1
SPLASH splash10-0900-0300009000-5f04765c84e3b512d346
Source of Spectrum A1-12-2056/SMS26-6d
Wiley ID 1752165