Chem
J-GLOBAL ID：202207017140794611
Nikkaji number：J3.778.672A
9,12-ビス(7-tert-ブチルピレン-2-イル)ジベンゾ[c,g]フェナントレン-1,6-ジカルボニトリル
9,12-ビス(7-tert-ブチルピレン-2-イル)ジベンゾ[c,g]フェナントレン-1,6-ジカルボニトリル
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： C64H44N2
Molecular formula furigana： C64-H44-N2
Molecular weight： 841.070
InChI：
InChI=1S/C64H44N2/c1-63(2,3)51-27-43-13-7-37-21-47(22-38-8-14-44(28-51)59(43)57(37)38)35-17-19-53-49(33-65)25-41-11-12-42-26-50(34-66)54-20-18-36(32-56(54)62(42)61(41)55(53)31-35)48-23-39-9-15-45-29-52(64(4,5)6)30-46-16-10-40(24-48)58(39)60(45)46/h7-32H,1-6H3
InChI key：
KWBBJDIJDQTUNN-UHFFFAOYSA-N
SMILES：
c1(cc2c(c3c(cc2)cc(c2c3cc(cc2)c2cc3ccc4cc(cc5ccc(c2)c3c45)C(C)(C)C)C#N)c2c1ccc(c2)c1cc2ccc3cc(cc4ccc(c1)c2c34)C(C)(C)C)C#N
Systematic name (3)：
- 9,12-ビス(7-tert-ブチルピレン-2-イル)ジベンゾ[c,g]フェナントレン-1,6-ジカルボニトリル
- 9,12-ビス(7-tert-ブチルピレン-2-イル)ナフト[2,1-c]フェナントレン-1,6-ジカルボニトリル
- 9,12-bis(7-tert-butylpyren-2-yl)naphtho[2,1-c]phenanthrene-1,6-dicarbonitrile
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