Chem
J-GLOBAL ID：201007035995367490   Nikkaji number：J2.830.305J

3-[4-[5,15-Bis(4-methylphenyl)-20-[4-[2-[5,10,15,20-tetrakis(3,5-dimethylphenyl)-21H,23H-porphyrin-12-yl]ethenyl]phenyl]-21H,23H-porphyrin-10-yl]phenyl]-2-cyanoacrylic acid

2-シアノ-3-[4-[20-[4-[2-[5,10,15,20-テトラキス(3,5-ジメチルフェニル)-21H,23H-ポルフィリン-12-イル]エテニル]フェニル]-5,15-ビス(4-メチルフェニル)-21H,23H-ポルフィリン-10-イル]フェニル]プロペン酸
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： C104H81N9O2
Molecular formula furigana： C104-H81-N9-O2
Molecular weight： 1488.853
InChI： InChI=1S/C104H81N9O2/c1-58-11-20-70(21-12-58)95-80-29-33-84(106-80)97(85-34-30-81(107-85)96(71-22-13-59(2)14-23-71)83-32-36-87(109-83)98(86-35-31-82(95)108-86)73-26-18-69(19-27-73)55-79(57-105)104(114)115)72-24-15-68(16-25-72)17-28-74-56-94-101(77-51-64(7)45-65(8)52-77)92-40-39-90(111-92)99(75-47-60(3)43-61(4)48-75)88-37-38-89(110-88)100(76-49-62(5)44-63(6)50-76)91-41-42-93(112-91)102(103(74)113-94)78-53-66(9)46-67(10)54-78/h11-56,106,109-110,113H,1-10H3,(H,114,115)/b28-17?,79-55?,95-80-,95-82-,96-81-,96-83-,97-84-,97-85-,98-86-,98-87-,99-88-,99-90-,100-89-,100-91-,101-92-,101-94-,102-93-,103-102-
InChI key： GMUGAWQFKUMSAA-BNBINADTSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C=Cc5cc6[nH]c5/C(=C\5/C=CC(=N5)/C(=c\5/cc/c(=C(\c7cc(C)cc(C)c7)/C7=N/C(=C\6/c6cc(C)cc(C)c6)/C=C7)/[nH]5)/c5cc(C)cc(C)c5)/c5cc(C)cc(C)c5)cc1)[nH]4)/c1ccc(C)cc1)/C=C3)\c1ccc(C=C(C#N)C(=O)O)cc1)/[nH]2
Systematic name  (4)：
  • 2-シアノ-3-[4-[20-[4-[2-[5,10,15,20-テトラキス(3,5-ジメチルフェニル)-21H,23H-ポルフィリン-12-イル]エテニル]フェニル]-5,15-ビス(4-メチルフェニル)-21H,23H-ポルフィリン-10-イル]フェニル]プロペン酸
  • 3-[4-[5,15-ビス(4-メチルフェニル)-20-[4-[2-[5,10,15,20-テトラキス(3,5-ジメチルフェニル)-21H,23H-ポルフィリン-12-イル]エテニル]フェニル]-21H,23H-ポルフィリン-10-イル]フェニル]-2-シアノアクリル酸
  • 3-{4-[7,17-ビス(4-メチルフェニル)-12-(4-{2-[2,7,12,17-テトラキス(3,5-ジメチルフェニル)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-4-イル]エテニル}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]フェニル}-2-シアノプロパ-2-エン酸
  • 3-{4-[7,17-bis(4-methylphenyl)-12-(4-{2-[2,7,12,17-tetrakis(3,5-dimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethenyl}phenyl)-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]phenyl}-2-cyanoprop-2-enoic acid
Other name (2)：
  • 2-Cyano-3-[4-[20-[4-[2-[5,10,15,20-tetrakis(3,5-dimethylphenyl)-21H,23H-porphyrin-12-yl]ethenyl]phenyl]-5,15-bis(4-methylphenyl)-21H,23H-porphyrin-10-yl]phenyl]propenoic acid
  • 3-[4-[5,15-Bis(4-methylphenyl)-20-[4-[2-[5,10,15,20-tetrakis(3,5-dimethylphenyl)-21H,23H-porphyrin-12-yl]ethenyl]phenyl]-21H,23H-porphyrin-10-yl]phenyl]-2-cyanoacrylic acid
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