Chem
J-GLOBAL ID：200907036448846894
Nikkaji number：J1.059.323I
2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(4,1-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(4,1-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/c1-9-13-17-81-57(5)93-91(63-27-21-61(22-28-63)25-31-65-45-79-51-75-39-37-71(99-75)47-67-33-35-69(97-67)49-73-41-43-77(101-73)53-85(65)103-79)94-59(7)83(19-15-11-3)89(107-94)56-90-84(20-16-12-4)60(8)96(108-90)92(95-58(6)82(18-14-10-2)88(106-95)55-87(81)105-93)64-29-23-62(24-30-64)26-32-66-46-80-52-76-40-38-72(100-76)48-68-34-36-70(98-68)50-74-42-44-78(102-74)54-86(66)104-80/h21-24,27-30,33-56,97-98,103-105,108H,9-20,25-26,31-32H2,1-8H3/b67-47-,68-48-,69-49-,70-50-,71-47-,72-48-,73-49-,74-50-,75-51-,76-52-,77-53-,78-54-,79-51-,80-52-,85-53-,86-54-,87-55-,88-55-,89-56-,90-56-,93-91-,94-91-,95-92-,96-92-
InChI key：
NNYFYZZXZNGTTD-QUTQWJQKSA-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/c2ccc(CCc4cc5/C=C\6/C=CC(=N6)/C=c\6/cc/c(=C/C7=N/C(=C\c4[nH]5)/C=C7)/[nH]6)cc2)/c(C)c3CCCC)C(=C1C)CCCC)/c1ccc(CCc2cc3/C=C\4/C=CC(=N4)/C=c\4/cc/c(=C/C5=N/C(=C\c2[nH]3)/C=C5)/[nH]4)cc1
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(4,1-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[4-(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[4-(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(4,1-phenylene)bisethylene]bis(21H,23H-porphyrin)
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