Chem
J-GLOBAL ID：200907042666788391   Nikkaji number：J2.658.151F

5,15-Bis[3,4,5-tris(dodecyloxy)phenyl]-10,20-dibromo-21H,23H-porphyrin

5,15-ビス[3,4,5-トリス(ドデシルオキシ)フェニル]-10,20-ジブロモ-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： C104H164Br2N4O6
Molecular formula furigana： C104-H164-BR2-N4-O6
Molecular weight： 1726.286
InChI： InChI=1S/C104H164Br2N4O6/c1-7-13-19-25-31-37-43-49-55-61-75-111-95-81-85(82-96(112-76-62-56-50-44-38-32-26-20-14-8-2)103(95)115-79-65-59-53-47-41-35-29-23-17-11-5)99-87-67-71-91(107-87)101(105)93-73-69-89(109-93)100(90-70-74-94(110-90)102(106)92-72-68-88(99)108-92)86-83-97(113-77-63-57-51-45-39-33-27-21-15-9-3)104(116-80-66-60-54-48-42-36-30-24-18-12-6)98(84-86)114-78-64-58-52-46-40-34-28-22-16-10-4/h67-74,81-84,107,110H,7-66,75-80H2,1-6H3/b99-87-,99-88-,100-89-,100-90-,101-91+,101-93+,102-92+,102-94+
InChI key： TXPMGRXUGFVFIN-AVGIPOQASA-N
SMILES： CCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/Br)[nH]4)/c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c1)/C=C3)\Br)/[nH]2
Systematic name  (3)：
  • 5,15-ビス[3,4,5-トリス(ドデシルオキシ)フェニル]-10,20-ジブロモ-21H,23H-ポルフィリン
  • 2,12-ジブロモ-7,17-ビス[3,4,5-トリス(ドデシルオキシ)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
  • 2,12-dibromo-7,17-bis[3,4,5-tris(dodecyloxy)phenyl]-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)：
  • 5,15-Bis[3,4,5-tris(dodecyloxy)phenyl]-10,20-dibromo-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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