Chem
J-GLOBAL ID：200907078543266280   Nikkaji number：J1.679.864I

1-[[2′-[(3-Iodo-5-nitrophenyl)ethynyl]-1,1′-binaphthalene-2-yl]ethynyl]-3-[(2′-ethynyl-1,1′-binaphthalene-2-yl)ethynyl]benzene

1-[[2′-[(3-ヨード-5-ニトロフェニル)エチニル]-1,1′-ビナフタレン-2-イル]エチニル]-3-[(2′-エチニル-1,1′-ビナフタレン-2-イル)エチニル]ベンゼン
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： C60H32I[N+]O[O-]
Molecular formula furigana： C60-H32-I-N-O2
Molecular weight： 925.825
InChI： InChI=1S/C60H32INO2/c1-2-43-28-29-44-14-3-7-18-53(44)57(43)58-48(33-30-45-15-4-8-19-54(45)58)25-22-40-12-11-13-41(36-40)23-26-49-34-31-46-16-5-9-20-55(46)59(49)60-50(35-32-47-17-6-10-21-56(47)60)27-24-42-37-51(61)39-52(38-42)62(63)64/h1,3-21,28-39H
InChI key： KEGRMZKEWPUKAF-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(I)cc(c1)C#Cc1ccc2ccccc2c1c1c(ccc2ccccc12)C#Cc1cccc(c1)C#Cc1ccc2ccccc2c1c1c(ccc2ccccc12)C#C
Systematic name  (3)：
  • 1-[[2′-[(3-ヨード-5-ニトロフェニル)エチニル]-1,1′-ビナフタレン-2-イル]エチニル]-3-[(2′-エチニル-1,1′-ビナフタレン-2-イル)エチニル]ベンゼン
  • 2-{2-[3-(2-{2'-エチニル-[1,1'-ビナフタレン]-2-イル}エチニル)フェニル]エチニル}-2'-[2-(3-ヨード-5-ニトロフェニル)エチニル]-1,1'-ビナフタレン
  • 2-{2-[3-(2-{2'-ethynyl-[1,1'-binaphthalen]-2-yl}ethynyl)phenyl]ethynyl}-2'-[2-(3-iodo-5-nitrophenyl)ethynyl]-1,1'-binaphthalene
Other name (1)：
  • 1-[[2′-[(3-Iodo-5-nitrophenyl)ethynyl]-1,1′-binaphthalene-2-yl]ethynyl]-3-[(2′-ethynyl-1,1′-binaphthalene-2-yl)ethynyl]benzene
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