Chem
J-GLOBAL ID：200907029125527157
Nikkaji number：J2.703.863H
4,4′-[5-[4-(1,3-Dioxolane-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-(1,3-ジオキソラン-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 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： C97H65N7O6
Molecular formula furigana： C97-H65-N7-O6
Molecular weight： 1424.630
InChI：
InChI=1S/C97H65N7O6/c1-3-107-94(105)75-29-25-73(26-30-75)92-88-47-43-84(101-88)82(41-21-68-11-23-77(24-12-68)96-109-63-64-110-96)85-44-48-89(102-85)93(74-27-31-76(32-28-74)95(106)108-4-2)91-50-46-87(104-91)83(86-45-49-90(92)103-86)42-22-69-19-39-81(40-20-69)97(78-33-13-65(14-34-78)5-8-70-51-57-98-58-52-70,79-35-15-66(16-36-79)6-9-71-53-59-99-60-54-71)80-37-17-67(18-38-80)7-10-72-55-61-100-62-56-72/h11-20,23-40,43-62,96,101,104H,3-4,63-64H2,1-2H3/b84-82-,85-82-,86-83-,87-83-,92-88-,92-90-,93-89-,93-91-
InChI key：
ACMNVUIWEPLEOU-PCKZMJRISA-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)C1OCCO1)[nH]4)/c1ccc(cc1)C(=O)OCC)/C=C3)\C#Cc1ccc(cc1)C(c1ccc(cc1)C#Cc1ccncc1)(c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1)/[nH]2
Systematic name (3)：
- 4,4′-[5-[4-(1,3-ジオキソラン-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-(7-{2-[4-(1,3-ジオキソラン-2-イル)フェニル]エチニル}-12-[4-(エトキシカルボニル)フェニル]-17-(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-(7-{2-[4-(1,3-dioxolan-2-yl)phenyl]ethynyl}-12-[4-(ethoxycarbonyl)phenyl]-17-(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
- 4,4′-[5-[4-(1,3-Dioxolane-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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