Chem
J-GLOBAL ID：200907098221848810
Nikkaji number：J2.013.081D
5,10-Bis[2-(benzoylamino)phenyl]-15,20-bis[2-(trimethylaminioacetylamino)phenyl]-21H,23H-porphyrin
5,10-ビス[2-(ベンゾイルアミノ)フェニル]-15,20-ビス[2-(トリメチルアミニオアセチルアミノ)フェニル]-21H,23H-ポルフィリン
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
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
Molecular formula： C68H62N8[N+]2O4
Molecular formula furigana： C68-H62-N10-O4
Molecular weight： 1083.309
InChI：
InChI=1S/C68H60N10O4/c1-77(2,3)41-61(79)73-49-29-17-13-25-45(49)63-53-33-34-54(69-53)64(46-26-14-18-30-50(46)74-62(80)42-78(4,5)6)56-36-38-58(71-56)66(48-28-16-20-32-52(48)76-68(82)44-23-11-8-12-24-44)60-40-39-59(72-60)65(57-37-35-55(63)70-57)47-27-15-19-31-51(47)75-67(81)43-21-9-7-10-22-43/h7-40H,41-42H2,1-6H3,(H4-2,69,70,71,72,73,74,75,76,79,80,81,82)/p+2/b63-53-,63-55-,64-54-,64-56-,65-57-,65-59-,66-58-,66-60-
InChI key：
LEZVCURFNMZXBI-ATMDPDCMSA-P
SMILES：
C[N+](C)(C)CC(=O)Nc1ccccc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1NC(=O)C[N+](C)(C)C)[nH]4)/c1ccccc1NC(=O)c1ccccc1)/C=C3)\c1ccccc1NC(=O)c1ccccc1)/[nH]2
Systematic name (1)：
- 5,10-ビス[2-(ベンゾイルアミノ)フェニル]-15,20-ビス[2-(トリメチルアミニオアセチルアミノ)フェニル]-21H,23H-ポルフィリン
- 5,10-Bis[2-(benzoylamino)phenyl]-15,20-bis[2-(trimethylaminioacetylamino)phenyl]-21H,23H-porphyrin
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