Chem
J-GLOBAL ID：201407094867066610   Nikkaji number：J3.293.729B

21,22-(1,2-Diphenylethene-1,2-diyl)-2,3,7,8,12,13,17,18-octaethyl-21H,22H-porphyrin-23-cation

21,22-(1,2-ジフェニルエテン-1,2-ジイル)-2,3,7,8,12,13,17,18-オクタエチル-21H,22H-ポルフィリン-23-カチオン
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： C50H55N3[N+]
Molecular formula furigana： C50-H55-N4
Molecular weight： 712.017
InChI： InChI=1S/C50H54N4/c1-9-33-35(11-3)43-28-45-37(13-5)39(15-7)47-30-48-40(16-8)38(14-6)46(29-44-36(12-4)34(10-2)42(52-44)27-41(33)51-43)54(48)50(32-25-21-18-22-26-32)49(53(45)47)31-23-19-17-20-24-31/h17-30H,9-16H2,1-8H3/p+1/b41-27-,42-27-,43-28-,44-29-,45-28-,46-29-
InChI key： FLROJKMZBRKCCP-WNLNZCOHSA-O
SMILES： CCC1=C(CC)/C/2=C/c3c(CC)c(CC)c4cc5c(CC)c(CC)/c(=C/C6=[NH+]/C(=C\C1=N2)/C(=C6CC)CC)/n5c(c1ccccc1)c(c1ccccc1)n34
Systematic name  (1)：
  • 21,22-(1,2-ジフェニルエテン-1,2-ジイル)-2,3,7,8,12,13,17,18-オクタエチル-21H,22H-ポルフィリン-23-カチオン
Other name (1)：
  • 21,22-(1,2-Diphenylethene-1,2-diyl)-2,3,7,8,12,13,17,18-octaethyl-21H,22H-porphyrin-23-cation
Thsaurus map：
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