Chem
J-GLOBAL ID：200907092372731810   Nikkaji number：J1.519.765J

1,3-Bis[2-methyl-5-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]phenyl]urea

1,3-ビス[2-メチル-5-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]フェニル]尿素
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： C97H76N10O
Molecular formula furigana： C97-H76-N10-O
Molecular weight： 1397.744
InChI： InChI=1S/C97H76N10O/c1-55-9-23-63(24-10-55)89-71-37-41-75(98-71)91(65-27-13-57(3)14-28-65)79-45-49-83(102-79)95(84-50-46-80(103-84)92(76-42-38-72(89)99-76)66-29-15-58(4)16-30-66)69-35-21-61(7)87(53-69)106-97(108)107-88-54-70(36-22-62(88)8)96-85-51-47-81(104-85)93(67-31-17-59(5)18-32-67)77-43-39-73(100-77)90(64-25-11-56(2)12-26-64)74-40-44-78(101-74)94(82-48-52-86(96)105-82)68-33-19-60(6)20-34-68/h9-54,98,100,103,105H,1-8H3,(H2,106,107,108)/b89-71-,89-72-,90-73-,90-74-,91-75-,91-79-,92-76-,92-80-,93-77-,93-81-,94-78-,94-82-,95-83-,95-84-,96-85-,96-86-
InChI key： ORMHGJNFFZMJJH-LSDQOEDMSA-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(NC(=O)Nc4cc(ccc4C)/C/4=c/5\cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC4=N8)/c4ccc(C)cc4)[nH]7)/c4ccc(C)cc4)/C=C6)\c4ccc(C)cc4)/[nH]5)c1)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name  (5)：
  • 20,20′-[カルボニルビス[イミノ(4-メチルベンゼン-3,1-ジイル)]]ビス[5,10,15-トリ(p-トリル)-21H,23H-ポルフィリン]
  • 20,20′-[カルボニルビス[イミノ(6-メチル-1,3-フェニレン)]]ビス[5,10,15-トリス(4-メチルフェニル)-21H,23H-ポルフィリン]
  • 1,3-ビス[2-メチル-5-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]フェニル]尿素
  • 1-{2-メチル-5-[7,12,17-トリス(4-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}-3-{2-メチル-5-[7,12,17-トリス(4-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-2-イル]フェニル}尿素
  • 1-{2-methyl-5-[7,12,17-tris(4-methylphenyl)-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}-3-{2-methyl-5-[7,12,17-tris(4-methylphenyl)-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}urea
Other name (3)：
  • 1,3-Bis[2-methyl-5-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]phenyl]urea
  • 20,20′-[Carbonylbis[imino(6-methyl-1,3-phenylene)]]bis[5,10,15-tris(4-methylphenyl)-21H,23H-porphyrin]
  • 20,20′-[Carbonylbis[imino(4-methylbenzene-3,1-diyl)]]bis[5,10,15-tri(p-tolyl)-21H,23H-porphyrin]
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