Chem
J-GLOBAL ID：200907000432849767   Nikkaji number：J1.949.166H

4,4′-[(1,3-Phenylene)bis(1-azonia-3-aza-1-cyclopentene-1,3-diyl)]-6,6′-[(1,3-phenylene)bis(1-azonia-3-aza-1-cyclopentene-1,3-diyl)]bispyrimidine

4,4′-[(1,3-フェニレン)ビス(1-アゾニア-3-アザ-1-シクロペンテン-1,3-ジイル)]-6,6′-[(1,3-フェニレン)ビス(1-アゾニア-3-アザ-1-シクロペンテン-1,3-ジイル)]ビスピリミジン
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： C32H32N8[N+]4
Molecular formula furigana： C32-H32-N12
Molecular weight： 584.690
InChI： InChI=1S/C32H32N12/c1-3-25-15-26(4-1)38-8-12-42(22-38)30-18-32(36-20-34-30)44-14-10-40(24-44)28-6-2-5-27(16-28)39-9-13-43(23-39)31-17-29(33-19-35-31)41-11-7-37(25)21-41/h1-6,15-24H,7-14H2/q+4
InChI key： XBBUBOYCRGJCNW-UHFFFAOYSA-N
SMILES： C1C[N+]2=CN1c1cc(ncn1)N1CC[N+](=C1)c1cccc(c1)[N+]1=CN(CC1)c1cc(ncn1)N1CC[N+](=C1)c1cccc2c1
Systematic name  (3)：
  • 4,4′-[(1,3-フェニレン)ビス(1-アゾニア-3-アザ-1-シクロペンテン-1,3-ジイル)]-6,6′-[(1,3-フェニレン)ビス(1-アゾニア-3-アザ-1-シクロペンテン-1,3-ジイル)]ビスピリミジン
  • 2λ5,5,7,9,11,14λ5,20λ5,23,25,27,29,32λ5-ドデカアザノナシクロ[31.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32]テトラテトラコンタ-1(37),2(44),6(43),7,9,14(42),15,17,19(41),20(40),24(39),25,27,32(38),33,35-ヘキサデカエン-2,14,20,32-テトラキス(イリウム)
  • 2λ5,5,7,9,11,14λ5,20λ5,23,25,27,29,32λ5-dodecaazanonacyclo[31.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32]tetratetraconta-1(37),2(44),6(43),7,9,14(42),15,17,19(41),20(40),24(39),25,27,32(38),33,35-hexadecaene-2,14,20,32-tetrakis(ylium)
Other name (1)：
  • 4,4′-[(1,3-Phenylene)bis(1-azonia-3-aza-1-cyclopentene-1,3-diyl)]-6,6′-[(1,3-phenylene)bis(1-azonia-3-aza-1-cyclopentene-1,3-diyl)]bispyrimidine
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