Chem
J-GLOBAL ID：201007072465756448   Nikkaji number：J2.799.536E

5,15-Bis[3,5-bis(isopentyloxy)phenyl]-10-[4-(4,6-diamino-1,3,5-triazine-2-yl)phenyl]-21H,23H-porphyrin

5,15-ビス[3,5-ビス(イソペンチルオキシ)フェニル]-10-[4-(4,6-ジアミノ-1,3,5-トリアジン-2-イル)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： C61H69N9O4
Molecular formula furigana： C61-H69-N9-O4
Molecular weight： 992.282
InChI： InChI=1S/C61H69N9O4/c1-36(2)21-25-71-46-29-42(30-47(34-46)72-26-22-37(3)4)57-50-15-13-44(64-50)33-45-14-16-51(65-45)58(43-31-48(73-27-23-38(5)6)35-49(32-43)74-28-24-39(7)8)55-20-18-53(67-55)56(52-17-19-54(57)66-52)40-9-11-41(12-10-40)59-68-60(62)70-61(63)69-59/h9-20,29-39,64,67H,21-28H2,1-8H3,(H4,62,63,68,69,70)/b44-33-,45-33-,56-52-,56-53-,57-50-,57-54-,58-51-,58-55-
InChI key： HDFPZQDFEBUEKD-REMFEGHDSA-N
SMILES： CC(C)CCOc1cc(OCCC(C)C)cc(c1)/C/1=c/2\cc/c(=C/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)c1nc(N)nc(N)n1)[nH]4)/c1cc(OCCC(C)C)cc(OCCC(C)C)c1)/C=C3)/[nH]2
Systematic name  (3)：
  • 5,15-ビス[3,5-ビス(イソペンチルオキシ)フェニル]-10-[4-(4,6-ジアミノ-1,3,5-トリアジン-2-イル)フェニル]-21H,23H-ポルフィリン
  • 6-(4-{7,17-ビス[3,5-ビス(3-メチルブトキシ)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-イル}フェニル)-1,3,5-トリアジン-2,4-ジアミン
  • 6-(4-{7,17-bis[3,5-bis(3-methylbutoxy)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-undecaen-2-yl}phenyl)-1,3,5-triazine-2,4-diamine
Other name (1)：
  • 5,15-Bis[3,5-bis(isopentyloxy)phenyl]-10-[4-(4,6-diamino-1,3,5-triazine-2-yl)phenyl]-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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