Chem
J-GLOBAL ID：200907022996164954   Nikkaji number：J1.894.009D

20,20′-[Carbonylbis[imino(6-methyl-1,3-phenylene)]][15,15′-[carbonylbis[imino(6-methyl-1,3-phenylene)]]bis[5,10-bis(4-methylphenyl)-21H,23H-porphyrin]]

20,20′-[カルボニルビス[イミノ(6-メチル-1,3-フェニレン)]][15,15′-[カルボニルビス[イミノ(6-メチル-1,3-フェニレン)]]ビス[5,10-ビス(4-メチルフェニル)-21H,23H-ポルフィリン]]
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： C98H76N12O2
Molecular formula furigana： C98-H76-N12-O2
Molecular weight： 1453.768
InChI： InChI=1S/C98H76N12O2/c1-53-9-21-61(22-10-53)89-69-33-34-70(99-69)90(62-23-11-54(2)12-24-62)74-38-42-78(102-74)94-66-30-18-58(6)86(50-66)109-98(112)110-88-52-68(32-20-60(88)8)96-80-44-40-76(104-80)92(64-27-15-56(4)16-28-64)72-36-35-71(100-72)91(63-25-13-55(3)14-26-63)75-39-43-79(103-75)95(83-47-48-84(96)106-83)67-31-19-59(7)87(51-67)108-97(111)107-85-49-65(29-17-57(85)5)93(77-41-37-73(89)101-77)81-45-46-82(94)105-81/h9-52,101-104H,1-8H3,(H2,107,108,111)(H2,109,110,112)/b89-69-,89-73-,90-70-,90-74-,91-71-,91-75-,92-72-,92-76-,93-77-,93-81-,94-78-,94-82-,95-79-,95-83-,96-80-,96-84-
InChI key： MIHWMHDRYVQTKP-RBIBXMIOSA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C\3/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC1=N6)/c1ccc(C)cc1)[nH]5)/c1cc(NC(=O)Nc5c(ccc(/C/6=C/7\C=CC(=N7)/C(=c\7/cc/c(=C(/C8=N/C(=C(\c9ccc6[nH]9)/c6ccc(C)cc6)/C=C8)\c6ccc(C)cc6)/[nH]7)/c6cc(NC(=O)Nc7c(ccc3c7)C)c(cc6)C)c5)C)c(cc1)C)/C=C4)/[nH]2
Systematic name  (1)：
  • 20,20′-[カルボニルビス[イミノ(6-メチル-1,3-フェニレン)]][15,15′-[カルボニルビス[イミノ(6-メチル-1,3-フェニレン)]]ビス[5,10-ビス(4-メチルフェニル)-21H,23H-ポルフィリン]]
Other name (1)：
  • 20,20′-[Carbonylbis[imino(6-methyl-1,3-phenylene)]][15,15′-[carbonylbis[imino(6-methyl-1,3-phenylene)]]bis[5,10-bis(4-methylphenyl)-21H,23H-porphyrin]]
Thsaurus map：
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