Chem
J-GLOBAL ID:200907049070287128   Nikkaji number:J2.604.313A

2,1-(2-Methoxy-1,3-butadiene-1,4-diyl)-6,7-(2-methoxy-1,3-butadiene-1,4-diyl)-3,5-bis(5-ethyl-2-thienyl)-4,4-bis[4-(1-pyrenylethynyl)phenylethynyl]-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide

2,1-(2-メトキシ-1,3-ブタジエン-1,4-ジイル)-6,7-(2-メトキシ-1,3-ブタジエン-1,4-ジイル)-3,5-ビス(5-エチル-2-チエニル)-4,4-ビス[4-(1-ピレニルエチニル)フェニルエチニル]-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
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: C83H53[B-]N[N+]O2S2
Molecular formula furigana: C83-H53-B-N2-O2-S2
Molecular weight: 1185.280
InChI: InChI=1S/C83H53BN2O2S2/c1-5-66-37-43-76(89-66)82-72-49-64(87-3)35-41-70(72)74-51-75-71-42-36-65(88-4)50-73(71)83(77-44-38-67(6-2)90-77)86(75)84(85(74)82,47-45-54-17-13-52(14-18-54)21-23-56-25-27-62-31-29-58-9-7-11-60-33-39-68(56)80(62)78(58)60)48-46-55-19-15-53(16-20-55)22-24-57-26-28-63-32-30-59-10-8-12-61-34-40-69(57)81(63)79(59)61/h7-20,25-44,49-51H,5-6H2,1-4H3
InChI key: SFVYQZJUCISPLP-UHFFFAOYSA-N
SMILES: CCc1ccc(s1)C1=[N+]2C(=Cc3n(c(c4ccc(CC)s4)c4cc(OC)ccc34)[B-]2(C#Cc2ccc(cc2)C#Cc2ccc3ccc4cccc5ccc2c3c45)C#Cc2ccc(cc2)C#Cc2ccc3ccc4cccc5ccc2c3c45)c2ccc(OC)cc12
Systematic name  (3):
  • 2,1-(2-メトキシ-1,3-ブタジエン-1,4-ジイル)-6,7-(2-メトキシ-1,3-ブタジエン-1,4-ジイル)-3,5-ビス(5-エチル-2-チエニル)-4,4-ビス[4-(1-ピレニルエチニル)フェニルエチニル]-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
  • 10,14-ビス(5-エチルチオフェン-2-イル)-7,17-ジメトキシ-12,12-ビス(2-{4-[2-(ピレン-1-イル)エチニル]フェニル}エチニル)-11λ5,13-ジアザ-12-ボラペンタシクロ[11.7.0.03,11.04,9.015,20]イコサ-1(20),2,4,6,8,10,14,16,18-ノナエン-11-イリウム-12-ウイド
  • 10,14-bis(5-ethylthiophen-2-yl)-7,17-dimethoxy-12,12-bis(2-{4-[2-(pyren-1-yl)ethynyl]phenyl}ethynyl)-11λ5,13-diaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(20),2,4,6,8,10,14,16,18-nonaen-11-ylium-12-uide
Other name (1):
  • 2,1-(2-Methoxy-1,3-butadiene-1,4-diyl)-6,7-(2-methoxy-1,3-butadiene-1,4-diyl)-3,5-bis(5-ethyl-2-thienyl)-4,4-bis[4-(1-pyrenylethynyl)phenylethynyl]-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide
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