Chem
J-GLOBAL ID：200907039553755895
Nikkaji number：J1.059.325E
2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(2,1-phenylene)bisethylene]bis(21H,23H-porphyrin)
2,2′-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス(2,1-フェニレン)ビスエチレン]ビス(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： C96H94N12
Molecular formula furigana： C96-H94-N12
Molecular weight： 1415.892
InChI：
InChI=1S/C96H94N12/c1-9-13-23-79-57(5)93-91(83-27-19-17-21-61(83)29-31-63-45-77-51-73-39-37-69(99-73)47-65-33-35-67(97-65)49-71-41-43-75(101-71)53-85(63)103-77)94-59(7)81(25-15-11-3)89(107-94)56-90-82(26-16-12-4)60(8)96(108-90)92(95-58(6)80(24-14-10-2)88(106-95)55-87(79)105-93)84-28-20-18-22-62(84)30-32-64-46-78-52-74-40-38-70(100-74)48-66-34-36-68(98-66)50-72-42-44-76(102-72)54-86(64)104-78/h17-22,27-28,33-56,97-98,103-105,108H,9-16,23-26,29-32H2,1-8H3/b65-47-,66-48-,67-49-,68-50-,69-47-,70-48-,71-49-,72-50-,73-51-,74-52-,75-53-,76-54-,77-51-,78-52-,85-53-,86-54-,87-55-,88-55-,89-56-,90-56-,93-91-,94-91-,95-92-,96-92-
InChI key：
NMTDOLRYWICSAJ-UPYMKPHZSA-N
SMILES：
CCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccccc2CCc2cc4/C=C\5/C=CC(=N5)/C=c\5/cc/c(=C/C6=N/C(=C\c2[nH]4)/C=C6)/[nH]5)/c(C)c3CCCC)C(=C1C)CCCC)/c1ccccc1CCc1cc2/C=C\3/C=CC(=N3)/C=c\3/cc/c(=C/C4=N/C(=C\c1[nH]2)/C=C4)/[nH]3
Systematic name (3)：
- 2,2′-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス(2,1-フェニレン)ビスエチレン]ビス(21H,23H-ポルフィリン)
- 5,9,15,19-テトラブチル-4,10,14,20-テトラメチル-2,12-ビス[2-(2-{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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-4-イル}エチル)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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
- 5,9,15,19-tetrabutyl-4,10,14,20-tetramethyl-2,12-bis[2-(2-{21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl}ethyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
- 2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(2,1-phenylene)bisethylene]bis(21H,23H-porphyrin)
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