Chem
J-GLOBAL ID：201007071310205198
Nikkaji number：J2.830.306H
2-Cyano-3-[4-[20-[4-[2-[5,10,15,20-tetrakis(3,5-dimethylphenyl)-21H,23H-porphyrin-12-yl]ethenyl]phenyl]-5,10-bis(4-methylphenyl)-21H,23H-porphyrin-15-yl]phenyl]propenoic 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]-5,10-ビス(4-メチルフェニル)-21H,23H-ポルフィリン-15-イル]フェニル]プロペン酸
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： C104H81N9O2
Molecular formula furigana： C104-H81-N9-O2
Molecular weight： 1488.853
InChI：
InChI=1S/C104H81N9O2/c1-58-11-20-70(21-12-58)95-80-29-30-81(106-80)96(71-22-13-59(2)14-23-71)83-32-34-86(108-83)98(73-26-18-69(19-27-73)55-79(57-105)104(114)115)87-36-35-85(109-87)97(84-33-31-82(95)107-84)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/h11-56,107-108,110,113H,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：
CSKGGGNXFCPLPH-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)cc1)[nH]4)/c1ccc(C=C(C#N)C(=O)O)cc1)/C=C3)\c1ccc(C=Cc3cc4[nH]c3/C(=C\3/C=CC(=N3)/C(=c\3/cc/c(=C(\c5cc(C)cc(C)c5)/C5=N/C(=C\4/c4cc(C)cc(C)c4)/C=C5)/[nH]3)/c3cc(C)cc(C)c3)/c3cc(C)cc(C)c3)cc1)/[nH]2
Systematic name (3)：
- 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]-5,10-ビス(4-メチルフェニル)-21H,23H-ポルフィリン-15-イル]フェニル]プロペン酸
- 3-{4-[7,12-ビス(4-メチルフェニル)-17-(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-1,3,5,7,9,11(23),12,14,16,18(21),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-[7,12-bis(4-methylphenyl)-17-(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-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenyl}-2-cyanoprop-2-enoic acid
- 2-Cyano-3-[4-[20-[4-[2-[5,10,15,20-tetrakis(3,5-dimethylphenyl)-21H,23H-porphyrin-12-yl]ethenyl]phenyl]-5,10-bis(4-methylphenyl)-21H,23H-porphyrin-15-yl]phenyl]propenoic acid
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