Chem
J-GLOBAL ID：201407029695665464
Nikkaji number：J3.283.961D
3,3′-[Iminobis[p-phenylene(1,1,4,4-tetracyano-1,3-butadiene-2,3-diyl)]]bis(7-isopropylazulene-1-carboxylic acid methyl) ester
3,3′-[イミノビス[p-フェニレン(1,1,4,4-テトラシアノ-1,3-ブタジエン-2,3-ジイル)]]ビス(7-イソプロピルアズレン-1-カルボン酸メチル)
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： C58H39N9O4
Molecular formula furigana： C58-H39-N9-O4
Molecular weight： 926.009
InChI：
InChI=1S/C58H39N9O4/c1-33(2)37-9-7-11-45-47(21-37)51(57(68)70-5)23-49(45)55(41(29-63)30-64)53(39(25-59)26-60)35-13-17-43(18-14-35)67-44-19-15-36(16-20-44)54(40(27-61)28-62)56(42(31-65)32-66)50-24-52(58(69)71-6)48-22-38(34(3)4)10-8-12-46(48)50/h7-24,33-34,67H,1-6H3
InChI key：
QBDLSCIMKFKIFE-UHFFFAOYSA-N
SMILES：
COC(=O)c1cc(C(=C(C#N)C#N)C(=C(C#N)C#N)c2ccc(Nc3ccc(cc3)C(=C(C#N)C#N)C(=C(C#N)C#N)c3cc(C(=O)OC)c4cc(cccc34)C(C)C)cc2)c2cccc(cc12)C(C)C
Systematic name (3)：
- 3,3′-[イミノビス[p-フェニレン(1,1,4,4-テトラシアノ-1,3-ブタジエン-2,3-ジイル)]]ビス(7-イソプロピルアズレン-1-カルボン酸メチル)
- メチル 7-(プロパン-2-イル)-3-(1,1,4,4-テトラシアノ-3-{4-[(4-{1,1,4,4-テトラシアノ-3-[3-(メトキシカルボニル)-5-(プロパン-2-イル)アズレン-1-イル]ブタ-1,3-ジエン-2-イル}フェニル)アミノ]フェニル}ブタ-1,3-ジエン-2-イル)アズレン-1-カルボキシラート
- methyl 7-(propan-2-yl)-3-(1,1,4,4-tetracyano-3-{4-[(4-{1,1,4,4-tetracyano-3-[3-(methoxycarbonyl)-5-(propan-2-yl)azulen-1-yl]buta-1,3-dien-2-yl}phenyl)amino]phenyl}buta-1,3-dien-2-yl)azulene-1-carboxylate
- 3,3′-[Iminobis[p-phenylene(1,1,4,4-tetracyano-1,3-butadiene-2,3-diyl)]]bis(7-isopropylazulene-1-carboxylic acid methyl) ester
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