Chem
J-GLOBAL ID：202007021429747690
Nikkaji number：J3.749.625A
2,7,12,17-テトラフェニル-24-(フェニルスルファニル)-4,21,22,23-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
2,7,12,17-テトラフェニル-24-(フェニルスルファニル)-4,21,22,23-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
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： C50H34N4S
Molecular formula furigana： C50-H34-N4-S
Molecular weight： 722.910
InChI：
InChI=1S/C50H34N4S/c1-6-16-33(17-7-1)45-38-32-51-49(50(38)55-37-24-14-5-15-25-37)48(36-22-12-4-13-23-36)44-31-30-43(54-44)47(35-20-10-3-11-21-35)42-29-28-41(53-42)46(34-18-8-2-9-19-34)40-27-26-39(45)52-40/h1-32,52,54H/b45-38-,45-39-,46-40-,46-41-,47-42-,47-43-,48-44-,49-48+
InChI key：
HYMPXTNEEFQPPQ-LYRNQNCTSA-N
SMILES：
N1=CC2=C(/C/1=C(/c1ccccc1)\c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/2\c2ccccc2)/[nH]1)/c1ccccc1)/c1ccccc1)Sc1ccccc1
Systematic name (2)：
- 2,7,12,17-テトラフェニル-24-(フェニルスルファニル)-4,21,22,23-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
- 2,7,12,17-tetraphenyl-24-(phenylsulfanyl)-4,21,22,23-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
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