Chem
J-GLOBAL ID：200907008039116996   Nikkaji number：J2.469.486K

22,23,72,73,122,123,172,173-Octakis[4-(tetradecyloxy)phenoxy]phthalocyanine

22,23,72,73,122,123,172,173-オクタキス[4-(テトラデシルオキシ)フェノキシ]フタロシアニン
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： C192H274N8O16
Molecular formula furigana： C192-H274-N8-O16
Molecular weight： 2950.344
InChI： InChI=1S/C192H274N8O16/c1-9-17-25-33-41-49-57-65-73-81-89-97-137-201-153-105-121-161(122-106-153)209-177-145-169-170(146-178(177)210-162-123-107-154(108-124-162)202-138-98-90-82-74-66-58-50-42-34-26-18-10-2)186-193-185(169)197-187-171-147-179(211-163-125-109-155(110-126-163)203-139-99-91-83-75-67-59-51-43-35-27-19-11-3)180(212-164-127-111-156(112-128-164)204-140-100-92-84-76-68-60-52-44-36-28-20-12-4)148-172(171)189(194-187)199-191-175-151-183(215-167-133-117-159(118-134-167)207-143-103-95-87-79-71-63-55-47-39-31-23-15-7)184(216-168-135-119-160(120-136-168)208-144-104-96-88-80-72-64-56-48-40-32-24-16-8)152-176(175)192(196-191)200-190-174-150-182(214-166-131-115-158(116-132-166)206-142-102-94-86-78-70-62-54-46-38-30-22-14-6)181(149-173(174)188(195-190)198-186)213-165-129-113-157(114-130-165)205-141-101-93-85-77-69-61-53-45-37-29-21-13-5/h105-136,145-152H,9-104,137-144H2,1-8H3,(H2,193,194,195,196,197,198,199,200)
InChI key： PQDPPQOUBQWQQP-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCOc1ccc(Oc2cc3/C/4=N/c5[nH]c(/N=C/6\N=C(/N=c/7\[nH]/c(=N\C(=N4)c3cc2Oc2ccc(OCCCCCCCCCCCCCC)cc2)/c2c7cc(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c2)c2c6cc(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c2)c2c5cc(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c(Oc3ccc(OCCCCCCCCCCCCCC)cc3)c2)cc1
Systematic name  (3)：
  • 22,23,72,73,122,123,172,173-オクタキス[4-(テトラデシルオキシ)フェノキシ]フタロシアニン
  • 6,7,15,16,24,25,33,34-オクタキス[4-(テトラデシルオキシ)フェノキシ]-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,7,15,16,24,25,33,34-octakis[4-(tetradecyloxy)phenoxy]-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (1)：
  • 22,23,72,73,122,123,172,173-Octakis[4-(tetradecyloxy)phenoxy]phthalocyanine
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