Chem
J-GLOBAL ID：201107060900278579
Nikkaji number：J2.932.230I
2,2′-[Tricyclo[8.2.2.24,7]hexadecane-1(13),4,6,10(14),11,15-hexaene-6,11-diyl]bis[4,5-bis(4-methoxyphenyl)-1H-imidazole-1-yl]radical
2,2′-[トリシクロ[8.2.2.24,7]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-6,11-ジイル]ビス[4,5-ビス(4-メトキシフェニル)-1H-イミダゾール-1-イル]ラジカル
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： C50H42N4O4
Molecular formula furigana： C50-H42-N4-O4
Molecular weight： 762.910
InChI：
InChI=1S/C50H42N4O4/c1-55-39-21-13-35(14-22-39)45-46(36-15-23-40(56-2)24-16-36)52-49(51-45)43-29-31-5-6-32-8-10-34(12-11-33(43)9-7-31)44(30-32)50-53-47(37-17-25-41(57-3)26-18-37)48(54-50)38-19-27-42(58-4)28-20-38/h7-10,13-30H,5-6,11-12H2,1-4H3
InChI key：
LTMUXNLJDWKADH-UHFFFAOYSA-N
SMILES：
COc1ccc(cc1)c1[n]c(nc1c1ccc(OC)cc1)c1cc2CCc3ccc(CCc1cc2)c(c3)c1[n]c(c(n1)c1ccc(OC)cc1)c1ccc(OC)cc1
Systematic name (1)：
- 2,2′-[トリシクロ[8.2.2.24,7]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-6,11-ジイル]ビス[4,5-ビス(4-メトキシフェニル)-1H-イミダゾール-1-イル]ラジカル
- 2,2′-[Tricyclo[8.2.2.24,7]hexadecane-1(13),4,6,10(14),11,15-hexaene-6,11-diyl]bis[4,5-bis(4-methoxyphenyl)-1H-imidazole-1-yl]radical
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