Chem
J-GLOBAL ID：200907025843690192   Nikkaji number：J1.606.711C

5,10,15,20-Tetrakis[3,5-bis(4-dodecylphenyl)phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[3,5-ビス(4-ドデシルフェニル)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： C188H254N4
Molecular formula furigana： C188-H254-N4
Molecular weight： 2570.128
InChI： InChI=1S/C188H254N4/c1-9-17-25-33-41-49-57-65-73-81-89-149-97-113-157(114-98-149)165-137-166(158-115-99-150(100-116-158)90-82-74-66-58-50-42-34-26-18-10-2)142-173(141-165)185-177-129-131-179(189-177)186(174-143-167(159-117-101-151(102-118-159)91-83-75-67-59-51-43-35-27-19-11-3)138-168(144-174)160-119-103-152(104-120-160)92-84-76-68-60-52-44-36-28-20-12-4)181-133-135-183(191-181)188(176-147-171(163-125-109-155(110-126-163)95-87-79-71-63-55-47-39-31-23-15-7)140-172(148-176)164-127-111-156(112-128-164)96-88-80-72-64-56-48-40-32-24-16-8)184-136-134-182(192-184)187(180-132-130-178(185)190-180)175-145-169(161-121-105-153(106-122-161)93-85-77-69-61-53-45-37-29-21-13-5)139-170(146-175)162-123-107-154(108-124-162)94-86-78-70-62-54-46-38-30-22-14-6/h97-148,189,192H,9-96H2,1-8H3/b185-177-,185-178-,186-179-,186-181-,187-180-,187-182-,188-183-,188-184-
InChI key： QTIUHHSSQLQOLK-VSWLIWKHSA-N
SMILES： CCCCCCCCCCCCc1ccc(cc1)c1cc(cc(c1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)c1ccc(CCCCCCCCCCCC)cc1)c1ccc(CCCCCCCCCCCC)cc1)[nH]4)/c1cc(cc(c1)c1ccc(CCCCCCCCCCCC)cc1)c1ccc(CCCCCCCCCCCC)cc1)/C=C3)\c1cc(cc(c1)c1ccc(CCCCCCCCCCCC)cc1)c1ccc(CCCCCCCCCCCC)cc1)/[nH]2)c1ccc(CCCCCCCCCCCC)cc1
Systematic name  (4)：
  • 5,10,15,20-テトラキス[3,5-ビス(4-ドデシルフェニル)フェニル]-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス[4,4′′-ジドデシル-1,1′:3′,1′′-テルベンゼン-5′-イル]-21H,23H-ポルフィリン
  • 2,7,12,17-テトラキス[4'-ドデシル-5-(4-ドデシルフェニル)-[1,1'-ビフェニル]-3-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
  • 2,7,12,17-tetrakis[4'-dodecyl-5-(4-dodecylphenyl)-[1,1'-biphenyl]-3-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 (2)：
  • 5,10,15,20-Tetrakis[4,4′′-didodecyl-1,1′:3′,1′′-terbenzen-5′-yl]-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis[3,5-bis(4-dodecylphenyl)phenyl]-21H,23H-porphyrin
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