Chem
J-GLOBAL ID：200907099004972402   Nikkaji number：J1.294.839E

20,20′-(1,4-Phenylene)bis[2,8,12,18-tetramethyl-3,7,13,17-tetrahexyl-10-(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]

20,20′-(1,4-フェニレン)ビス[2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-10-(3,5-ジ-tert-ブチルフェニル)-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： C130H182N8
Molecular formula furigana： C130-H182-N8
Molecular weight： 1856.942
InChI： InChI=1S/C130H182N8/c1-29-37-45-53-61-99-83(9)119-115(120-84(10)100(62-54-46-38-30-2)108(132-120)80-112-104(66-58-50-42-34-6)88(14)124(136-112)117(93-73-95(127(17,18)19)77-96(74-93)128(20,21)22)123-87(13)103(65-57-49-41-33-5)111(135-123)79-107(99)131-119)91-69-71-92(72-70-91)116-121-85(11)101(63-55-47-39-31-3)109(133-121)81-113-105(67-59-51-43-35-7)89(15)125(137-113)118(94-75-97(129(23,24)25)78-98(76-94)130(26,27)28)126-90(16)106(68-60-52-44-36-8)114(138-126)82-110-102(64-56-48-40-32-4)86(12)122(116)134-110/h69-82,131,133,136,138H,29-68H2,1-28H3/b107-79-,108-80-,109-81-,110-82-,111-79-,112-80-,113-81-,114-82-,119-115-,120-115-,121-116-,122-116-,123-117-,124-117-,125-118-,126-118-
InChI key： GDNWLRKOKHCTCS-MWLNXSBESA-N
SMILES： CCCCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCCCC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccc(cc2)/C/2=c\4/[nH]/c(=C\C5=N/C(=C(\c6[nH]c(/C=C/7\N=C2C(=C7CCCCCC)C)c(c6C)CCCCCC)/c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/C(=C5CCCCCC)C)/c(c4C)CCCCCC)/c(C)c3CCCCCC)C(=C1C)CCCCCC)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (1)：
  • 20,20′-(1,4-フェニレン)ビス[2,8,12,18-テトラメチル-3,7,13,17-テトラヘキシル-10-(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
Other name (1)：
  • 20,20′-(1,4-Phenylene)bis[2,8,12,18-tetramethyl-3,7,13,17-tetrahexyl-10-(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
Thsaurus map：
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