Chem
J-GLOBAL ID：202007002837522456
Nikkaji number：J3.745.799J
5,16-ジベンジル-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-ジベンジル-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： C30H22N6
Molecular formula furigana： C30-H22-N6
Molecular weight： 466.548
InChI：
InChI=1S/C30H22N6/c1-3-11-21(12-4-1)19-35-29-25-17-9-7-15-23(25)28-30(26-18-10-8-16-24(26)27(29)31-33-35)36(34-32-28)20-22-13-5-2-6-14-22/h1-18H,19-20H2/b27-24+,28-23+,29-25+,30-26+
InChI key：
ZKEFSAKWJDPNKI-ASDMFEHESA-N
SMILES：
c1(Cn2nnc3c2c2ccccc2c2nnn(Cc4ccccc4)c2c2ccccc32)ccccc1
Systematic name (2)：
- 5,16-ジベンジル-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-dibenzyl-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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