Chem
J-GLOBAL ID：200907074526476909   Nikkaji number：J2.703.864F

4,4′-[5-[4-(1-Methylpyrrolidine-2-yl)phenylethynyl]-15-[4-[tris[4-(4-pyridylethynyl)phenyl]methyl]phenylethynyl]-21H,23H-porphyrin-10,20-diyl]bis(benzoic acid ethyl) ester

4,4′-[5-[4-(1-メチルピロリジン-2-イル)フェニルエチニル]-15-[4-[トリス[4-(4-ピリジルエチニル)フェニル]メチル]フェニルエチニル]-21H,23H-ポルフィリン-10,20-ジイル]ビス(安息香酸エチル)
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： C99H70N8O4
Molecular formula furigana： C99-H70-N8-O4
Molecular weight： 1435.701
InChI： InChI=1S/C99H70N8O4/c1-4-110-97(108)78-32-28-76(29-33-78)95-90-50-46-86(103-90)84(44-24-70-14-26-75(27-15-70)94-7-6-66-107(94)3)87-47-51-91(104-87)96(77-30-34-79(35-31-77)98(109)111-5-2)93-53-49-89(106-93)85(88-48-52-92(95)105-88)45-25-71-22-42-83(43-23-71)99(80-36-16-67(17-37-80)8-11-72-54-60-100-61-55-72,81-38-18-68(19-39-81)9-12-73-56-62-101-63-57-73)82-40-20-69(21-41-82)10-13-74-58-64-102-65-59-74/h14-23,26-43,46-65,94,103,106H,4-7,66H2,1-3H3/b86-84-,87-84-,88-85-,89-85-,95-90-,95-92-,96-91-,96-93-
InChI key： PJPXATQOGDDSPY-PZPJLWQJSA-N
SMILES： CCOC(=O)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/C#Cc1ccc(cc1)C(c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1)[nH]4)/c1ccc(cc1)C(=O)OCC)/C=C3)\C#Cc1ccc(cc1)C1CCCN1C)/[nH]2
Systematic name  (3)：
  • 4,4′-[5-[4-(1-メチルピロリジン-2-イル)フェニルエチニル]-15-[4-[トリス[4-(4-ピリジルエチニル)フェニル]メチル]フェニルエチニル]-21H,23H-ポルフィリン-10,20-ジイル]ビス(安息香酸エチル)
  • エチル 4-{12-[4-(エトキシカルボニル)フェニル]-17-{2-[4-(1-メチルピロリジン-2-イル)フェニル]エチニル}-7-(2-{4-[トリス({4-[2-(ピリジン-4-イル)エチニル]フェニル})メチル]フェニル}エチニル)-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}ベンゾアート
  • ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-17-{2-[4-(1-methylpyrrolidin-2-yl)phenyl]ethynyl}-7-(2-{4-[tris({4-[2-(pyridin-4-yl)ethynyl]phenyl})methyl]phenyl}ethynyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}benzoate
Other name (1)：
  • 4,4′-[5-[4-(1-Methylpyrrolidine-2-yl)phenylethynyl]-15-[4-[tris[4-(4-pyridylethynyl)phenyl]methyl]phenylethynyl]-21H,23H-porphyrin-10,20-diyl]bis(benzoic acid ethyl) ester
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