Chem
J-GLOBAL ID：200907003514411483   Nikkaji number：J2.014.927B

Isophthalic acid bis[4-(10,15,20-triphenyl-21H,23H-porphyrin-5-yl)phenyl] ester

イソフタル酸ビス[4-(10,15,20-トリフェニル-21H,23H-ポルフィリン-5-イル)フェニル]
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： C96H62N8O4
Molecular formula furigana： C96-H62-N8-O4
Molecular weight： 1391.604
InChI： InChI=1S/C96H62N8O4/c105-95(107-69-38-34-65(35-39-69)93-83-54-50-79(101-83)89(61-24-11-3-12-25-61)75-46-42-71(97-75)87(59-20-7-1-8-21-59)72-43-47-76(98-72)90(62-26-13-4-14-27-62)80-51-55-84(93)102-80)67-32-19-33-68(58-67)96(106)108-70-40-36-66(37-41-70)94-85-56-52-81(103-85)91(63-28-15-5-16-29-63)77-48-44-73(99-77)88(60-22-9-2-10-23-60)74-45-49-78(100-74)92(64-30-17-6-18-31-64)82-53-57-86(94)104-82/h1-58,97,99,102,104H/b87-71-,87-72-,88-73-,88-74-,89-75-,89-79-,90-76-,90-80-,91-77-,91-81-,92-78-,92-82-,93-83-,93-84-,94-85-,94-86-
InChI key： LHRNZMFVAQMOEA-IRKGNNRUSA-N
SMILES： O=C(Oc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)c1cccc(c1)C(=O)Oc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2
Systematic name  (4)：
  • 1,3-ベンゼンジカルボン酸ビス[4-(10,15,20-トリフェニル-21H,23H-ポルフィリン-5-イル)フェニル]
  • イソフタル酸ビス[4-(10,15,20-トリフェニル-21H,23H-ポルフィリン-5-イル)フェニル]
  • 1,3-ビス(4-{7,12,17-トリフェニル-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) ベンゼン-1,3-ジカルボキシラート
  • 1,3-bis(4-{7,12,17-triphenyl-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) benzene-1,3-dicarboxylate
Other name (2)：
  • 1,3-Benzenedicarboxylic acid bis[4-(10,15,20-triphenyl-21H,23H-porphyrin-5-yl)phenyl] ester
  • Isophthalic acid bis[4-(10,15,20-triphenyl-21H,23H-porphyrin-5-yl)phenyl] ester
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