Chem
J-GLOBAL ID：201007010665811170   Nikkaji number：J2.868.550E

3,5,8-Trimethyl-4,4-difluoro-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-di[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

3,5,8-トリメチル-4,4-ジフルオロ-10,11-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル]-1,2:6,7-ジ[1,3]ブタジエノ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
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： C46H31BF2N[N+]
Molecular formula furigana： C46-H31-B-F2-N2
Molecular weight： 660.570
InChI： InChI=1S/C46H31BF2N2/c1-26-45-33-21-11-10-20-32(33)27(2)50(45)47(48,49)51-28(3)36-24-37-38(25-39(36)46(26)51)42(31-16-8-5-9-17-31)44-35-23-13-19-29-18-12-22-34(40(29)35)43(44)41(37)30-14-6-4-7-15-30/h4-25H,1-3H3/q+1
InChI key： JSTPXBCBBKANHR-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(C)c3n(c(C)c4cc5c(c6c(c7cccc8cccc6c78)c(c6ccccc6)c5cc34)c3ccccc3)[B]2(F)F)c2ccccc12
Systematic name  (3)：
  • 3,5,8-トリメチル-4,4-ジフルオロ-10,11-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル]-1,2:6,7-ジ[1,3]ブタジエノ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
  • 18,18-ジフルオロ-8,16,20-トリメチル-3,24-ジフェニル-17λ5,19-ジアザ-18λ4-ボラノナシクロ[24.7.1.02,25.04,23.06,21.07,19.09,17.010,15.030,34]テトラトリアコンタ-1(34),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-ヘキサデカエン-17-イリウム
  • 18,18-difluoro-8,16,20-trimethyl-3,24-diphenyl-17λ5,19-diaza-18λ4-boranonacyclo[24.7.1.02,25.04,23.06,21.07,19.09,17.010,15.030,34]tetratriaconta-1(34),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaen-17-ylium
Other name (1)：
  • 3,5,8-Trimethyl-4,4-difluoro-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-di[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
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