Chem
J-GLOBAL ID：200907025345351089   Nikkaji number：J2.069.548J

5-[4-(6-Hydroxyhexyloxy)phenyl]-10,15,20-tris[4-(hexadecyloxy)phenyl]-21H,23H-porphyrin

5-[4-(6-ヒドロキシヘキシルオキシ)フェニル]-10,15,20-トリス[4-(ヘキサデシルオキシ)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： C98H138N4O5
Molecular formula furigana： C98-H138-N4-O5
Molecular weight： 1452.205
InChI： InChI=1S/C98H138N4O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-46-75-104-83-58-50-79(51-59-83)95-87-66-68-89(99-87)96(80-52-60-84(61-53-80)105-76-47-42-38-35-32-29-26-23-20-17-14-11-8-5-2)91-70-72-93(101-91)98(82-56-64-86(65-57-82)107-78-49-44-40-45-74-103)94-73-71-92(102-94)97(90-69-67-88(95)100-90)81-54-62-85(63-55-81)106-77-48-43-39-36-33-30-27-24-21-18-15-12-9-6-3/h50-73,99,102-103H,4-49,74-78H2,1-3H3/b95-87-,95-88-,96-89-,96-91-,97-90-,97-92-,98-93-,98-94-
InChI key： KDXUTANNIFPYRU-RSRVNCKPSA-N
SMILES： CCCCCCCCCCCCCCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCCCCO)cc1)[nH]4)/c1ccc(OCCCCCCCCCCCCCCCC)cc1)/C=C3)\c1ccc(OCCCCCCCCCCCCCCCC)cc1)/[nH]2
Systematic name  (3)：
  • 5-[4-(6-ヒドロキシヘキシルオキシ)フェニル]-10,15,20-トリス[4-(ヘキサデシルオキシ)フェニル]-21H,23H-ポルフィリン
  • 6-(4-{7,12,17-トリス[4-(ヘキサデシルオキシ)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-イル}フェノキシ)ヘキサン-1-オール
  • 6-(4-{7,12,17-tris[4-(hexadecyloxy)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}phenoxy)hexan-1-ol
Other name (1)：
  • 5-[4-(6-Hydroxyhexyloxy)phenyl]-10,15,20-tris[4-(hexadecyloxy)phenyl]-21H,23H-porphyrin
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