Chem
J-GLOBAL ID:201207030587736235   Nikkaji number:J2.999.432C

5,5′-[(1H-Benzoimidazole-3-ium)-1,3-diyl][3,3′-[(1H-benzoimidazole-3-ium)-1,3-diyl][1,1′-[(1H-benzoimidazole-3-ium)-1,3-diyl]bismethylenebis(2,4,6-trimethylbenzene)]]

5,5′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル][3,3′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル][1,1′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル]ビスメチレンビス(2,4,6-トリメチルベンゼン)]]
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: C41H37N3[N+]3
Molecular formula furigana: C41-H37-N6
Molecular weight: 613.787
InChI: InChI=1S/C41H37N6/c1-24-30-19-42-21-43(33-14-8-7-13-32(33)42)20-31-26(3)40-29(6)41(27(31)4)47-23-46(36-17-11-12-18-37(36)47)39(25(30)2)28(5)38(24)44-22-45(40)35-16-10-9-15-34(35)44/h7-18,21-23H,19-20H2,1-6H3/q+3
InChI key: ZATGJAACPFZGOJ-UHFFFAOYSA-N
SMILES: Cc1c2Cn3c[n+](Cc4c(C)c5c(C)c(c4C)[n+]4cn(c6ccccc46)c(c2C)c(C)c1n1c[n+]5c2ccccc12)c1ccccc31
Systematic name  (3):
  • 5,5′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル][3,3′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル][1,1′-[(1H-ベンゾイミダゾール-3-イウム)-1,3-ジイル]ビスメチレンビス(2,4,6-トリメチルベンゼン)]]
  • 2,15,17,28,38,40-ヘキサメチル-5λ5,12,19,26λ5,29λ5,36-ヘキサアザデカシクロ[14.12.8.13,27.15,12.114,18.119,26.129,36.06,11.020,25.030,35]ヘンテトラコンタ-1(28),2,5(41),6,8,10,14(40),15,17,20,22,24,26(39),27(38),29(37),30,32,34-オクタデカエン-5,26,29-トリス(イリウム)
  • 2,15,17,28,38,40-hexamethyl-5λ5,12,19,26λ5,29λ5,36-hexaazadecacyclo[14.12.8.13,27.15,12.114,18.119,26.129,36.06,11.020,25.030,35]hentetraconta-1(28),2,5(41),6,8,10,14(40),15,17,20,22,24,26(39),27(38),29(37),30,32,34-octadecaene-5,26,29-tris(ylium)
Other name (1):
  • 5,5′-[(1H-Benzoimidazole-3-ium)-1,3-diyl][3,3′-[(1H-benzoimidazole-3-ium)-1,3-diyl][1,1′-[(1H-benzoimidazole-3-ium)-1,3-diyl]bismethylenebis(2,4,6-trimethylbenzene)]]
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