Chem
J-GLOBAL ID：200907086308528857
Nikkaji number：J1.054.644C
5,10:15,20-Bis[(2,6-dioxo-2′-methoxy-2,6-dihydro-1,1′-binaphthalene-3,3′-diyl)bis[carbonylimino(1,2-phenylene)]]-21H,23H-porphyrin
5,10:15,20-ビス[(2,6-ジオキソ-2′-メトキシ-2,6-ジヒドロ-1,1′-ビナフタレン-3,3′-ジイル)ビス[カルボニルイミノ(1,2-フェニレン)]]-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： C90H54N8O10
Molecular formula furigana： C90-H54-N8-O10
Molecular weight： 1407.468
InChI：
InChI=1S/C90H136N8O10/c1-107-85-61-41-45-15-3-5-17-51(45)81(85)79-53-29-27-49(99)39-47(53)43-59(83(79)101)87(103)95-63-23-11-7-19-55(63)75-67-31-35-71(91-67)77(57-21-9-13-25-65(57)97-89(61)105)73-37-33-69(93-73)76-56-20-8-12-24-64(56)96-88(104)60-44-48-40-50(100)28-30-54(48)80(84(60)102)82-52-18-6-4-16-46(52)42-62(86(82)108-2)90(106)98-66-26-14-10-22-58(66)78(72-36-32-68(76)92-72)74-38-34-70(75)94-74/h45-48,51-82,85-86,91-94H,3-44H2,1-2H3,(H,95,103)(H,96,104)(H,97,105)(H,98,106)
InChI key：
AEQLFTLDGFJJLZ-UHFFFAOYSA-N
SMILES：
COC1C2CC3CCCCC3C1C1C3CCC(=O)CC3CC(C1=O)C(=O)NC1CCCCC1C1C3CCC(N3)C(C3CCC(N3)C3C4CCC(N4)C(C4CCC1N4)C1CCCCC1NC(=O)C1CC4CCCCC4C(C1OC)C1C4CCC(=O)CC4CC(C1=O)C(=O)NC1CCCCC31)C1CCCCC1NC2=O
Systematic name (1)：
- 5,10:15,20-ビス[(2,6-ジオキソ-2′-メトキシ-2,6-ジヒドロ-1,1′-ビナフタレン-3,3′-ジイル)ビス[カルボニルイミノ(1,2-フェニレン)]]-21H,23H-ポルフィリン
- 5,10:15,20-Bis[(2,6-dioxo-2′-methoxy-2,6-dihydro-1,1′-binaphthalene-3,3′-diyl)bis[carbonylimino(1,2-phenylene)]]-21H,23H-porphyrin
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