Chem
J-GLOBAL ID：202007004370804455
Nikkaji number：J3.745.802C
5,16-ビス(1-フェニルエチル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
5,16-ビス(1-フェニルエチル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
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
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
Molecular formula： C32H26N6
Molecular formula furigana： C32-H26-N6
Molecular weight： 494.602
InChI：
InChI=1S/C32H26N6/c1-21(23-13-5-3-6-14-23)37-31-27-19-11-9-17-25(27)30-32(28-20-12-10-18-26(28)29(31)33-35-37)38(36-34-30)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3/b29-26+,30-25+,31-27+,32-28+
InChI key：
AGJSPFYMWSAQBH-YOFQMWJOSA-N
SMILES：
c12c3nnn(c3c3ccccc3c3nnn(c3c1cccc2)C(C)c1ccccc1)C(C)c1ccccc1
Systematic name (2)：
- 5,16-ビス(1-フェニルエチル)-3,4,5,14,15,16-ヘキサアザペンタシクロ[16.4.0.02,6.07,12.013,17]ドコサ-1(22),2(6),3,7,9,11,13(17),14,18,20-デカエン
- 5,16-bis(1-phenylethyl)-3,4,5,14,15,16-hexaazapentacyclo[16.4.0.02,6.07,12.013,17]docosa-1(22),2(6),3,7,9,11,13(17),14,18,20-decaene
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