Chem
J-GLOBAL ID:200907036597800589   Nikkaji number:J1.795.285D

10,10′-Bi[5-(4-pyridyl)-15-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]

10,10′-ビ[5-(4-ピリジル)-15-[3,5-ビス(オクチルオキシ)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: C94H104N10O4
Molecular formula furigana: C94-H104-N10-O4
Molecular weight: 1437.932
InChI: InChI=1S/C94H104N10O4/c1-5-9-13-17-21-25-53-105-73-57-67(58-74(63-73)106-54-26-22-18-14-10-6-2)91-79-35-31-71(99-79)61-69-29-33-77(97-69)89(65-45-49-95-50-46-65)81-37-41-85(101-81)93(87-43-39-83(91)103-87)94-86-42-38-82(102-86)90(66-47-51-96-52-48-66)78-34-30-70(98-78)62-72-32-36-80(100-72)92(84-40-44-88(94)104-84)68-59-75(107-55-27-23-19-15-11-7-3)64-76(60-68)108-56-28-24-20-16-12-8-4/h29-52,57-64,97-98,103-104H,5-28,53-56H2,1-4H3/b69-61-,70-62-,71-61-,72-62-,89-77-,89-81-,90-78-,90-82-,91-79-,91-83-,92-80-,92-84-,93-85+,93-87+,94-86+,94-88+
InChI key: CFMPKRWKINNHNM-SIAKHZARSA-N
SMILES: CCCCCCCCOc1cc(OCCCCCCCC)cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C=C\5/C=CC1=N5)[nH]4)/c1ccncc1)/C=C3)\C\1=c\3/cc/c(=C(/C4=N/C(=C\c5ccc(/C(=C\6/C=CC1=N6)/c1ccncc1)[nH]5)/C=C4)\c1cc(OCCCCCCCC)cc(OCCCCCCCC)c1)/[nH]3)/[nH]2
Systematic name  (3):
  • 10,10′-ビ[5-(4-ピリジル)-15-[3,5-ビス(オクチルオキシ)フェニル]-21H,23H-ポルフィリン]
  • 12-[3,5-ビス(オクチルオキシ)フェニル]-17-{17-[3,5-ビス(オクチルオキシ)フェニル]-7-(ピリジン-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}-2-(ピリジン-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
  • 12-[3,5-bis(octyloxy)phenyl]-17-{17-[3,5-bis(octyloxy)phenyl]-7-(pyridin-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}-2-(pyridin-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):
  • 10,10′-Bi[5-(4-pyridyl)-15-[3,5-bis(octyloxy)phenyl]-21H,23H-porphyrin]
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