Chem
J-GLOBAL ID：200907011213914679   Nikkaji number：J1.757.817K

4-[10,20-Dimesityl-15-[4-[4-[2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]phenylethynyl]-21H,23H-porphyrin-5-yl]benzoic acid methyl ester

4-[10,20-ジメシチル-15-[4-[4-[2-[2-メチル-5-(4-メトキシフェニル)-3-チエニル]-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-5-メチル-2-チエニル]フェニルエチニル]-21H,23H-ポルフィリン-5-イル]安息香酸メチル
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： C76H58F6N4O3S2
Molecular formula furigana： C76-H58-F6-N4-O3-S2
Molecular weight： 1253.440
InChI： InChI=1S/C76H58F6N4O3S2/c1-39-33-41(3)66(42(4)34-39)69-60-27-25-56(83-60)53(57-26-28-61(84-57)70(67-43(5)35-40(2)36-44(67)6)63-32-30-59(86-63)68(58-29-31-62(69)85-58)50-16-18-51(19-17-50)73(87)89-10)24-13-47-11-14-48(15-12-47)64-37-54(45(7)90-64)71-72(75(79,80)76(81,82)74(71,77)78)55-38-65(91-46(55)8)49-20-22-52(88-9)23-21-49/h11-12,14-23,25-38,83,86H,1-10H3/b56-53-,57-53-,68-58-,68-59-,69-60+,69-62+,70-61+,70-63+
InChI key： VLQWFQYTQYEOHO-MCEATEBXSA-N
SMILES： COC(=O)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(C)cc(C)cc1C)[nH]4)/C#Cc1ccc(cc1)c1cc(C4=C(c5cc(sc5C)c5ccc(OC)cc5)C(F)(F)C(F)(F)C4(F)F)c(C)s1)/C=C3)\c1c(C)cc(C)cc1C)/[nH]2
Systematic name  (3)：
  • 4-[10,20-ジメシチル-15-[4-[4-[2-[2-メチル-5-(4-メトキシフェニル)-3-チエニル]-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-5-メチル-2-チエニル]フェニルエチニル]-21H,23H-ポルフィリン-5-イル]安息香酸メチル
  • メチル 4-(12-{2-[4-(4-{3,3,4,4,5,5-ヘキサフルオロ-2-[5-(4-メトキシフェニル)-2-メチルチオフェン-3-イル]シクロペンタ-1-エン-1-イル}-5-メチルチオフェン-2-イル)フェニル]エチニル}-7,17-ビス(2,4,6-トリメチルフェニル)-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(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
  • methyl 4-(12-{2-[4-(4-{3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopent-1-en-1-yl}-5-methylthiophen-2-yl)phenyl]ethynyl}-7,17-bis(2,4,6-trimethylphenyl)-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-[10,20-Dimesityl-15-[4-[4-[2-[2-methyl-5-(4-methoxyphenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-methyl-2-thienyl]phenylethynyl]-21H,23H-porphyrin-5-yl]benzoic acid methyl ester
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