Chem
J-GLOBAL ID：201407098597804822
Nikkaji number：J3.318.537E
4-[[5,15-Bis[3,5-bis(trifluoromethyl)phenyl]-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-yl]ethynyl]benzoic acid
4-[[5,15-ビス[3,5-ビス(トリフルオロメチル)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
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： C69H55F12N5O2
Molecular formula furigana： C69-H55-F12-N5-O2
Molecular weight： 1214.213
InChI：
InChI=1S/C69H55F12N5O2/c1-3-5-7-9-11-41-15-22-51(23-16-41)86(52-24-17-42(18-25-52)12-10-8-6-4-2)64-60-33-31-58(84-60)62(45-35-47(66(70,71)72)39-48(36-45)67(73,74)75)56-29-27-54(82-56)53(26-19-43-13-20-44(21-14-43)65(87)88)55-28-30-57(83-55)63(59-32-34-61(64)85-59)46-37-49(68(76,77)78)40-50(38-46)69(79,80)81/h13-18,20-25,27-40,82,85H,3-12H2,1-2H3,(H,87,88)/b54-53-,55-53-,62-56-,62-58-,63-57-,63-59-,64-60+,64-61+
InChI key：
YIURBYOKWZMWKL-RFCUREMDSA-N
SMILES：
CCCCCCc1ccc(cc1)N(c1ccc(CCCCCC)cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[nH]4)/C#Cc1ccc(cc1)C(=O)O)/C=C3)\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/[nH]2
Systematic name (1)：
- 4-[[5,15-ビス[3,5-ビス(トリフルオロメチル)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-Bis[3,5-bis(trifluoromethyl)phenyl]-20-[bis(4-hexylphenyl)amino]-21H,23H-porphyrin-10-yl]ethynyl]benzoic acid
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