Chem
J-GLOBAL ID：200907000193113699   Nikkaji number：J1.604.305B

22,72,122,172-Tetrakis[4-[bis[4-(diphenylamino)phenyl]amino]phenyl]phthalocyanine

22,72,122,172-テトラキス[4-[ビス[4-(ジフェニルアミノ)フェニル]アミノ]フェニル]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： C200H142N20
Molecular formula furigana： C200-H142-N20
Molecular weight： 2825.476
InChI： InChI=1S/C200H142N20/c1-17-49-149(50-18-1)209(150-51-19-2-20-52-150)169-101-117-177(118-102-169)217(178-119-103-170(104-120-178)210(151-53-21-3-22-54-151)152-55-23-4-24-56-152)165-93-81-141(82-94-165)145-89-133-185-189(137-145)197-201-193(185)206-198-191-139-147(143-85-97-167(98-86-143)219(181-125-109-173(110-126-181)213(157-65-33-9-34-66-157)158-67-35-10-36-68-158)182-127-111-174(112-128-182)214(159-69-37-11-38-70-159)160-71-39-12-40-72-160)91-135-187(191)195(203-198)208-200-192-140-148(144-87-99-168(100-88-144)220(183-129-113-175(114-130-183)215(161-73-41-13-42-74-161)162-75-43-14-44-76-162)184-131-115-176(116-132-184)216(163-77-45-15-46-78-163)164-79-47-16-48-80-164)92-136-188(192)196(204-200)207-199-190-138-146(90-134-186(190)194(202-199)205-197)142-83-95-166(96-84-142)218(179-121-105-171(106-122-179)211(153-57-25-5-26-58-153)154-59-27-6-28-60-154)180-123-107-172(108-124-180)212(155-61-29-7-30-62-155)156-63-31-8-32-64-156/h1-140H,(H2,201,202,203,204,205,206,207,208)
InChI key： BCULTIJTUKXTJE-UHFFFAOYSA-N
SMILES： c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)c1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1c5cc(cc1)c1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1c4cc(cc1)c1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 22,72,122,172-テトラキス[4-[ビス[4-(ジフェニルアミノ)フェニル]アミノ]フェニル]フタロシアニン
  • N1-[4-(ジフェニルアミノ)フェニル]-N4,N4-ジフェニル-N1-{4-[15,24,33-トリス(4-{ビス[4-(ジフェニルアミノ)フェニル]アミノ}フェニル)-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(40),4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-ノナデカエン-6-イル]フェニル}ベンゼン-1,4-ジアミン
  • N1-[4-(diphenylamino)phenyl]-N4,N4-diphenyl-N1-{4-[15,24,33-tris(4-{bis[4-(diphenylamino)phenyl]amino}phenyl)-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(40),4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaen-6-yl]phenyl}benzene-1,4-diamine
Other name (1)：
  • 22,72,122,172-Tetrakis[4-[bis[4-(diphenylamino)phenyl]amino]phenyl]phthalocyanine
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