Chem
J-GLOBAL ID:200907079919642020   Nikkaji number:J666.275G

3,7,18,22-Tetraethyl-2,8,17,23-tetramethyl-27-selenasapphyrin

3,7,18,22-テトラエチル-2,8,17,23-テトラメチル-27-セレナサフィリン
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: C36H40N4Se
Molecular formula furigana: C36-H40-N4-SE
Molecular weight: 607.715
InChI: InChI=1S/C36H40N4Se/c1-9-25-19(5)29-15-23-13-14-24(41-23)16-30-20(6)26(10-2)32(38-30)18-34-28(12-4)22(8)36(40-34)35-21(7)27(11-3)33(39-35)17-31(25)37-29/h13-18,39-40H,9-12H2,1-8H3/b23-15-,24-16-,29-15-,30-16-,31-17-,32-18-,33-17-,34-18-,36-35-
InChI key: XCCFCMSIVCLKQL-JVKDSJNBSA-N
SMILES: CCC1=C(C)C2=N/C/1=C\c1[nH]c(c3[nH]c(/C=C/4\N=C(/C=c\5/cc/c(=C/2)/[se]5)C(=C4CC)C)c(c3C)CC)c(c1CC)C
Systematic name  (3):
  • 3,7,18,22-テトラエチル-2,8,17,23-テトラメチル-27-セレナサフィリン
  • 4,8,19,23-テトラエチル-3,9,18,24-テトラメチル-27-セレナ-25,26,28,29-テトラアザヘキサシクロ[20.2.1.12,5.17,10.112,15.117,20]ノナコサ-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-トリデカエン
  • 4,8,19,23-tetraethyl-3,9,18,24-tetramethyl-27-selena-25,26,28,29-tetraazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
Other name (1):
  • 3,7,18,22-Tetraethyl-2,8,17,23-tetramethyl-27-selenasapphyrin
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