Chem
J-GLOBAL ID：201207025956881747   Nikkaji number：J3.016.148C

YD2-o-C8

4-(5,15-ジ(2,6-ジ(オクチルオキシ)フェニル)-20-(ジ(4-ヘキシルフェニル)アミノ)-21H,23H-ポルフィリン-10-イル)エチニル安息香酸
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： C97H123N5O6
Molecular formula furigana： C97-H123-N5-O6
Molecular weight： 1455.080
InChI： InChI=1S/C97H123N5O6/c1-7-13-19-25-29-35-69-105-88-43-39-44-89(106-70-36-30-26-20-14-8-2)94(88)92-82-63-61-80(98-82)79(60-53-75-47-54-76(55-48-75)97(103)104)81-62-64-83(99-81)93(95-90(107-71-37-31-27-21-15-9-3)45-40-46-91(95)108-72-38-32-28-22-16-10-4)85-66-68-87(101-85)96(86-67-65-84(92)100-86)102(77-56-49-73(50-57-77)41-33-23-17-11-5)78-58-51-74(52-59-78)42-34-24-18-12-6/h39-40,43-52,54-59,61-68,98,101H,7-38,41-42,69-72H2,1-6H3,(H,103,104)/b80-79-,81-79-,92-82+,92-84+,93-83+,93-85+,96-86+,96-87+
InChI key： RCMBFOMLMDPHPG-VJRFPNOOSA-N
SMILES： CCCCCCCCOc1cccc(OCCCCCCCC)c1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/N(c1ccc(CCCCCC)cc1)c1ccc(CCCCCC)cc1)[nH]4)/c1c(OCCCCCCCC)cccc1OCCCCCCCC)/C=C3)\C#Cc1ccc(cc1)C(=O)O)/[nH]2
Systematic name  (7)：
  • 5,15-ビス[2,6-ビス(オクチルオキシ)フェニル]-20-[ビス(4-ヘキシルフェニル)アミノ]-10-(4-カルボキシフェニルエチニル)-21H,23H-ポルフィリン
  • 4-[5,15-ビス[2,6-ビス(オクチルオキシ)フェニル]-20-[ビス(4-ヘキシルフェニル)アミノ]-21H,23H-ポルフィリン-10-イルエチニル]安息香酸
  • 5-[ビス(4-ヘキシルフェニル)アミノ]-10,20-ビス[2,6-ビス(オクチルオキシ)フェニル]-15-(4-カルボキシフェニルエチニル)-21H,23H-ポルフィリン
  • 4-[[5,15-ビス[2,6-ビス(オクチルオキシ)フェニル]-20-[ビス(4-ヘキシルフェニル)アミノ]-21H,23H-ポルフィリン-10-イル]エチニル]安息香酸
  • 4-[[5,15-ビス[2,6-ジ(オクチルオキシ)フェニル]-20-[ビス(4-ヘキシルフェニル)アミノ]-21H,23H-ポルフィリン-10-イル]エチニル]安息香酸
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Other name (8)：
  • 5,15-Bis[2,6-bis(octyloxy)phenyl]-20-[bis(4-hexylphenyl)amino]-10-(4-carboxyphenylethynyl)-21H,23H-porphyrin
  • 4-[5,15-Bis[2,6-bis(octyloxy)phenyl]-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-ylethynyl]benzoic acid
  • 5-[Bis(4-hexylphenyl)amino]-10,20-bis[2,6-bis(octyloxy)phenyl]-15-(4-carboxyphenylethynyl)-21H,23H-porphyrin
  • 4-[[5,15-Bis[2,6-bis(octyloxy)phenyl]-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-yl]ethynyl]benzoic acid
  • 4-[[5,15-Bis[2,6-di(octyloxy)phenyl]-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-yl]ethynyl]benzoic acid
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