Chem
J-GLOBAL ID：200907051693027237
Nikkaji number：J1.960.571J
8,17′:8′,17-Dicyclo-10,10′-bi[5,15-bis[4-(1,1-dimethyltridecyl)phenyl]-20-phenyl-21H,23H-porphyrin]
8,17′:8′,17-ジシクロ-10,10′-ビ[5,15-ビス[4-(1,1-ジメチルトリデシル)フェニル]-20-フェニル-21H,23H-ポルフィリン]
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
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
Molecular formula： C136H166N8
Molecular formula furigana： C136-H166-N8
Molecular weight： 1912.880
InChI：
InChI=1S/C136H166N8/c1-13-17-21-25-29-33-37-41-45-55-87-133(5,6)101-71-63-97(64-72-101)123-111-81-79-109(137-111)121(95-59-51-49-52-60-95)117-92-106-108-94-120-124(98-65-73-102(74-66-98)134(7,8)88-56-46-42-38-34-30-26-22-18-14-2)112-82-80-110(138-112)122(96-61-53-50-54-62-96)118-91-105-107-93-119(123)143-131(107)127(115-85-83-114(139-115)126(130(106)141-117)100-69-77-104(78-70-100)136(11,12)90-58-48-44-40-36-32-28-24-20-16-4)128(132(108)144-120)116-86-84-113(140-116)125(129(105)142-118)99-67-75-103(76-68-99)135(9,10)89-57-47-43-39-35-31-27-23-19-15-3/h49-54,59-86,91-94,137-140H,13-48,55-58,87-90H2,1-12H3/b107-105-,108-106-,121-109-,121-117+,122-110+,122-118+,123-111-,123-119-,124-112-,124-120-,125-113-,126-114-,127-115+,128-116+,129-125+,130-126+,131-127+,132-128+
InChI key：
CDRBYZLPPCXLMZ-YDEYYEORSA-N
SMILES：
CCCCCCCCCCCCC(C)(C)c1ccc(cc1)/C/1=c/2\cc/c(=C(\c3cc4c5c6c7c8ccc(c(c9c(c%10cc1nc%10c7c1ccc(c(c4n3)c3ccc(cc3)C(C)(C)CCCCCCCCCCCC)[nH]1)cc(n9)/C(=c\1/cc/c(=C(/c(n6)c5)\c3ccc(cc3)C(C)(C)CCCCCCCCCCCC)/[nH]1)/c1ccccc1)c1ccc(cc1)C(C)(C)CCCCCCCCCCCC)[nH]8)/c1ccccc1)/[nH]2
Systematic name (3)：
- 8,17′:8′,17-ジシクロ-10,10′-ビ[5,15-ビス[4-(1,1-ジメチルトリデシル)フェニル]-20-フェニル-21H,23H-ポルフィリン]
- 7,17,28,36-テトラキス[4-(2-メチルテトラデカン-2-イル)フェニル]-12,33-ジフェニル-5,35,41,43,44,45,46,47-オクタアザドデカシクロ[21.12.5.12,34.13,6.18,11.113,16.118,21.124,27.129,32.137,40.04,22.015,25]オクタテトラコンタ-1(36),2(42),3(48),4(22),5,7,9,11,13(46),14,16,18,20,23,25,27(44),28,30,32,34,37,39-ドコサエン
- 7,17,28,36-tetrakis[4-(2-methyltetradecan-2-yl)phenyl]-12,33-diphenyl-5,35,41,43,44,45,46,47-octaazadodecacyclo[21.12.5.12,34.13,6.18,11.113,16.118,21.124,27.129,32.137,40.04,22.015,25]octatetraconta-1(36),2(42),3(48),4(22),5,7,9,11,13(46),14,16,18,20,23,25,27(44),28,30,32,34,37,39-docosaene
- 8,17′:8′,17-Dicyclo-10,10′-bi[5,15-bis[4-(1,1-dimethyltridecyl)phenyl]-20-phenyl-21H,23H-porphyrin]
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