Chem
J-GLOBAL ID:200907045629376546   Nikkaji number:J1.021.654K

4,8-Diethoxy-12-phenyl-1,2,3,6,9,10,11-heptaazabenzo[1,2-b:5,4-b′]bis[1]benzothiophene

4,8-ジエトキシ-12-フェニル-1,2,3,6,9,10,11-ヘプタアザベンゾ[1,2-b:5,4-b′]ビス[1]ベンゾチオフェン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H15N7O2S2
Molecular formula furigana: C21-H15-N7-O2-S2
Molecular weight: 461.520
InChI: InChI=1S/C21H15N7O2S2/c1-3-29-18-16-14(23-27-25-18)12-11(10-8-6-5-7-9-10)13-15-17(19(30-4-2)26-28-24-15)32-21(13)22-20(12)31-16/h5-9H,3-4H2,1-2H3
InChI key: ODCMEHOYNAMKEF-UHFFFAOYSA-N
SMILES: CCOc1nnnc2c1sc1nc3sc4c(OCC)nnnc4c3c(c3ccccc3)c21
Systematic name  (3):
  • 4,8-ジエトキシ-12-フェニル-1,2,3,6,9,10,11-ヘプタアザベンゾ[1,2-b:5,4-b′]ビス[1]ベンゾチオフェン
  • 8,16-ジエトキシ-2-フェニル-10,14-ジチア-5,6,7,12,17,18,19-ヘプタアザペンタシクロ[11.7.0.03,11.04,9.015,20]イコサ-1,3(11),4(9),5,7,12,15,17,19-ノナエン
  • 8,16-diethoxy-2-phenyl-10,14-dithia-5,6,7,12,17,18,19-heptaazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
Other name (1):
  • 4,8-Diethoxy-12-phenyl-1,2,3,6,9,10,11-heptaazabenzo[1,2-b:5,4-b′]bis[1]benzothiophene
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