Chem
J-GLOBAL ID：200907009147525572   Nikkaji number：J2.059.409H

22,72,122,172-Tetrakis[2,4-bis(tert-pentyloxy)phenoxy]-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,72,122,172-テトラキス[2,4-ビス(tert-ペンチルオキシ)フェノキシ]-21H,23H-テトラベンゾ[b,g,l,q]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： C100H118N4O12
Molecular formula furigana： C100-H118-N4-O12
Molecular weight： 1568.060
InChI： InChI=1S/C100H118N4O12/c1-25-93(9,10)109-65-37-45-85(89(53-65)113-97(17,18)29-5)105-61-33-41-69-73(49-61)81-57-78-70-42-34-62(106-86-46-38-66(110-94(11,12)26-2)54-90(86)114-98(19,20)30-6)50-74(70)83(102-78)59-80-72-44-36-64(108-88-48-40-68(112-96(15,16)28-4)56-92(88)116-100(23,24)32-8)52-76(72)84(104-80)60-79-71-43-35-63(51-75(71)82(103-79)58-77(69)101-81)107-87-47-39-67(111-95(13,14)27-3)55-91(87)115-99(21,22)31-7/h33-60,101,104H,25-32H2,1-24H3/b77-58-,78-57-,79-60-,80-59-,81-57-,82-58-,83-59-,84-60-
InChI key： ZQBACCNPWBYUAO-RJFHCQEWSA-N
SMILES： CCC(C)(C)Oc1ccc(Oc2ccc3C4=N/C(=C\c5[nH]c(/C=C/6\N=C(/C=c/7\[nH]/c(=C\4)/c4c7ccc(Oc7ccc(OC(C)(C)CC)cc7OC(C)(C)CC)c4)c4c6ccc(Oc6ccc(OC(C)(C)CC)cc6OC(C)(C)CC)c4)c4c5ccc(Oc5ccc(OC(C)(C)CC)cc5OC(C)(C)CC)c4)/c3c2)c(OC(C)(C)CC)c1
Systematic name  (3)：
  • 22,72,122,172-テトラキス[2,4-ビス(tert-ペンチルオキシ)フェノキシ]-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 6,15,24,33-テトラキス({2,4-ビス[(2-メチルブタン-2-イル)オキシ]フェノキシ})-37,38,39,40-テトラアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,15,24,33-tetrakis({2,4-bis[(2-methylbutan-2-yl)oxy]phenoxy})-37,38,39,40-tetraazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (1)：
  • 22,72,122,172-Tetrakis[2,4-bis(tert-pentyloxy)phenoxy]-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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