Chem
J-GLOBAL ID：200907035126523392   Nikkaji number：J2.014.926D

1,3,5-Benzenetricarboxylic acid tris[4-(10,15,20-triphenyl-21H,23H-porphyrin-5-yl)phenyl] ester

1,3,5-ベンゼントリカルボン酸トリス[4-(10,15,20-トリフェニル-21H,23H-ポルフィリン-5-イル)フェニル]
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： C141H90N12O6
Molecular formula furigana： C141-H90-N12-O6
Molecular weight： 2048.349
InChI： InChI=1S/C141H90N12O6/c154-139(157-100-52-46-94(47-53-100)136-121-76-70-115(148-121)130(88-34-16-4-17-35-88)109-64-58-103(142-109)127(85-28-10-1-11-29-85)104-59-65-110(143-104)131(89-36-18-5-19-37-89)116-71-77-122(136)149-116)97-82-98(140(155)158-101-54-48-95(49-55-101)137-123-78-72-117(150-123)132(90-38-20-6-21-39-90)111-66-60-105(144-111)128(86-30-12-2-13-31-86)106-61-67-112(145-106)133(91-40-22-7-23-41-91)118-73-79-124(137)151-118)84-99(83-97)141(156)159-102-56-50-96(51-57-102)138-125-80-74-119(152-125)134(92-42-24-8-25-43-92)113-68-62-107(146-113)129(87-32-14-3-15-33-87)108-63-69-114(147-108)135(93-44-26-9-27-45-93)120-75-81-126(138)153-120/h1-84,142,144,146,149,151,153H/b127-103-,127-104-,128-105-,128-106-,129-107-,129-108-,130-109-,130-115-,131-110-,131-116-,132-111-,132-117-,133-112-,133-118-,134-113-,134-119-,135-114-,135-120-,136-121-,136-122-,137-123-,137-124-,138-125-,138-126-
InChI key： PRZGCDGGNOYORR-MRCQGOMBSA-N
SMILES： O=C(Oc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)c1cc(cc(c1)C(=O)Oc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)C(=O)Oc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2
Systematic name  (3)：
  • 1,3,5-ベンゼントリカルボン酸トリス[4-(10,15,20-トリフェニル-21H,23H-ポルフィリン-5-イル)フェニル]
  • 1,3,5-トリス(4-{7,12,17-トリフェニル-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}フェニル) ベンゼン-1,3,5-トリカルボキシラート
  • 1,3,5-tris(4-{7,12,17-triphenyl-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}phenyl) benzene-1,3,5-tricarboxylate
Other name (1)：
  • 1,3,5-Benzenetricarboxylic acid tris[4-(10,15,20-triphenyl-21H,23H-porphyrin-5-yl)phenyl] ester
Thsaurus map：
Thesaurus Map

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