Chem
J-GLOBAL ID：200907014951513750   Nikkaji number：J2.069.549H

5-[4-(Hydroxymethyl)phenyl]-10,15,20-tris[4-(hexadecyloxy)phenyl]-21H,23H-porphyrin

5-[4-(ヒドロキシメチル)フェニル]-10,15,20-トリス[4-(ヘキサデシルオキシ)フェニル]-21H,23H-ポルフィリン
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： C93H128N4O4
Molecular formula furigana： C93-H128-N4-O4
Molecular weight： 1366.071
InChI： InChI=1S/C93H128N4O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-70-99-79-56-50-76(51-57-79)91-84-64-62-82(94-84)90(75-48-46-74(73-98)47-49-75)83-63-65-85(95-83)92(77-52-58-80(59-53-77)100-71-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)87-67-69-89(97-87)93(88-68-66-86(91)96-88)78-54-60-81(61-55-78)101-72-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-69,94,97-98H,4-45,70-73H2,1-3H3/b90-82-,90-83-,91-84-,91-86-,92-85-,92-87-,93-88-,93-89-
InChI key： SSIWBOOONIIGIU-AYWMJJKLSA-N
SMILES： CCCCCCCCCCCCCCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(CO)cc1)[nH]4)/c1ccc(OCCCCCCCCCCCCCCCC)cc1)/C=C3)\c1ccc(OCCCCCCCCCCCCCCCC)cc1)/[nH]2
Systematic name  (3)：
  • 5-[4-(ヒドロキシメチル)フェニル]-10,15,20-トリス[4-(ヘキサデシルオキシ)フェニル]-21H,23H-ポルフィリン
  • (4-{7,12,17-トリス[4-(ヘキサデシルオキシ)フェニル]-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル}フェニル)メタノール
  • (4-{7,12,17-tris[4-(hexadecyloxy)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}phenyl)methanol
Other name (1)：
  • 5-[4-(Hydroxymethyl)phenyl]-10,15,20-tris[4-(hexadecyloxy)phenyl]-21H,23H-porphyrin
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