Chem
J-GLOBAL ID:200907051662604791   Nikkaji number:J1.257.821K

1-[1,4-Dimethyl-9,10-dihydro-9,10-[1,2]benzenoanthracene-9-yl]-2-[1,4-dichloro-9,10-dihydro-9,10-[1,2]benzenoanthracene-9-yl]acetylene

1-[1,4-ジメチル-9,10-ジヒドロ-9,10-[1,2]ベンゼノアントラセン-9-イル]-2-[1,4-ジクロロ-9,10-ジヒドロ-9,10-[1,2]ベンゼノアントラセン-9-イル]アセチレン
Substance type:
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
Molecular formula: C44H28Cl2
Molecular formula furigana: C44-H28-CL2
Molecular weight: 627.610
InChI: InChI=1S/C44H28Cl2/c1-25-19-20-26(2)41-37(25)38-27-11-3-7-15-31(27)43(41,32-16-8-4-12-28(32)38)23-24-44-33-17-9-5-13-29(33)39(30-14-6-10-18-34(30)44)40-35(45)21-22-36(46)42(40)44/h3-22,38-39H,1-2H3
InChI key: QQUYLDVDKQBENK-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c2c1C1c3ccccc3C2(C#CC23c4ccccc4C(c4ccccc24)c2c(Cl)ccc(Cl)c32)c2ccccc12
Systematic name  (3):
  • 1-[1,4-ジメチル-9,10-ジヒドロ-9,10-[1,2]ベンゼノアントラセン-9-イル]-2-[1,4-ジクロロ-9,10-ジヒドロ-9,10-[1,2]ベンゼノアントラセン-9-イル]アセチレン
  • 1-(2-{3,6-ジクロロペンタシクロ[6.6.6.02,7.09,14.015,20]イコサ-2,4,6,9,11,13,15,17,19-ノナエン-1-イル}エチニル)-16,19-ジメチルペンタシクロ[6.6.6.02,7.09,14.015,20]イコサ-2,4,6,9,11,13,15(20),16,18-ノナエン
  • 1-(2-{3,6-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-yl}ethynyl)-16,19-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15(20),16,18-nonaene
Other name (1):
  • 1-[1,4-Dimethyl-9,10-dihydro-9,10-[1,2]benzenoanthracene-9-yl]-2-[1,4-dichloro-9,10-dihydro-9,10-[1,2]benzenoanthracene-9-yl]acetylene
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