Chem
J-GLOBAL ID：200907025863654532   Nikkaji number：J1.295.063B

2,2′-Bi[3,8,13,18-tetramethyl-7,12,17-triethyl-21H,23H-porphyrin]

2,2′-ビ[3,8,13,18-テトラメチル-7,12,17-トリエチル-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： C60H66N8
Molecular formula furigana： C60-H66-N8
Molecular weight： 899.244
InChI： InChI=1S/C60H66N8/c1-15-37-29(7)43-23-53-41(19-5)33(11)47(65-53)27-57-59(35(13)49(67-57)25-55-39(17-3)31(9)45(63-55)21-51(37)61-43)60-36(14)50-26-56-40(18-4)32(10)46(64-56)22-52-38(16-2)30(8)44(62-52)24-54-42(20-6)34(12)48(66-54)28-58(60)68-50/h21-28,61-62,67-68H,15-20H2,1-14H3/b43-23-,44-24-,45-21-,46-22-,47-27-,48-28-,49-25-,50-26-,51-21-,52-22-,53-23-,54-24-,55-25-,56-26-,57-27-,58-28-
InChI key： AJGWAACMRLCQSJ-KIQUDNEQSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)c2c(C)c4/C=C/5\N=C(/C=c/6\[nH]/c(=C\C7=N/C(=C\c2[nH]4)/C(=C7CC)C)/c(C)c6CC)C(=C5CC)C)C(=C3C)CC)c(c1C)CC
Systematic name  (3)：
  • 2,2′-ビ[3,8,13,18-テトラメチル-7,12,17-トリエチル-21H,23H-ポルフィリン]
  • 4,9,19-トリエチル-5,10,15,20-テトラメチル-14-{9,14,19-トリエチル-5,10,15,20-テトラメチル-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}-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
  • 4,9,19-triethyl-5,10,15,20-tetramethyl-14-{9,14,19-triethyl-5,10,15,20-tetramethyl-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}-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-undecaene
Other name (1)：
  • 2,2′-Bi[3,8,13,18-tetramethyl-7,12,17-triethyl-21H,23H-porphyrin]
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