Chem
J-GLOBAL ID：201507017974952902   Nikkaji number：J3.456.866I

BeRST-1

7-(ジメチルアミノ)-10-[4-[4-[4-(ジメチルアミノ)-2-メトキシスチリル]スチリル]-2-スルホナトフェニル]-2-(ジメチルイミニオ)-9,9-ジメチル-2,9-ジヒドロ-9-シラアントラセン
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： C44H47N2[N+]O3[O-]SSi
Molecular formula furigana： C44-H47-N3-O4-S-SI
Molecular weight： 742.020
InChI： InChI=1S/C44H47N3O4SSi/c1-45(2)34-20-19-33(40(27-34)51-7)18-16-31-12-10-30(11-13-31)14-15-32-17-23-37(41(26-32)52(48,49)50)44-38-24-21-35(46(3)4)28-42(38)53(8,9)43-29-36(47(5)6)22-25-39(43)44/h10-29H,1-9H3
InChI key： JEGXMKRMCJJPHP-UHFFFAOYSA-N
SMILES： COc1cc(ccc1C=Cc1ccc(C=Cc2ccc(C3=C4C=CC(=[N+](C)C)C=C4[Si](C)(C)c4cc(ccc34)N(C)C)c(c2)S(=O)(=O)[O-])cc1)N(C)C
Systematic name  (3)：
  • 7-(ジメチルアミノ)-10-[4-[4-[4-(ジメチルアミノ)-2-メトキシスチリル]スチリル]-2-スルホナトフェニル]-2-(ジメチルイミニオ)-9,9-ジメチル-2,9-ジヒドロ-9-シラアントラセン
  • 2-[5-(ジメチルアミノ)-13-(ジメチルイミニウミル)-2,2-ジメチル-2-シラトリシクロ[8.4.0.03,8]テトラデカ-1(14),3,5,7,9,11-ヘキサエン-9-イル]-5-[2-(4-{2-[4-(ジメチルアミノ)-2-メトキシフェニル]エテニル}フェニル)エテニル]ベンゼン-1-スルホナート
  • 2-[5-(dimethylamino)-13-(dimethyliminiumyl)-2,2-dimethyl-2-silatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,9,11-hexaen-9-yl]-5-[2-(4-{2-[4-(dimethylamino)-2-methoxyphenyl]ethenyl}phenyl)ethenyl]benzene-1-sulfonate
Other name (3)：
  • 7-(Dimethylamino)-10-[4-[4-[4-(dimethylamino)-2-methoxystyryl]styryl]-2-sulfonatophenyl]-2-(dimethyliminio)-9,9-dimethyl-2,9-dihydro-9-silaanthracene
  • BeRST 1
  • BeRST-1
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