Chem
J-GLOBAL ID：200907088270569220
Nikkaji number：J2.323.112C
5,15-Bis[4-(5,5-dimethyl-1,3-dioxane-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
5,15-ビス[4-(5,5-ジメチル-1,3-ジオキサン-2-イル)フェニル]-2,8,12,18-テトラヘキシル-3,7,13,17-テトラメチル-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： C72H98N4O4
Molecular formula furigana： C72-H98-N4-O4
Molecular weight： 1083.600
InChI：
InChI=1S/C72H98N4O4/c1-13-17-21-25-29-55-47(5)65-63(51-33-37-53(38-34-51)69-77-43-71(9,10)44-78-69)66-49(7)57(31-27-23-19-15-3)61(75-66)42-62-58(32-28-24-20-16-4)50(8)68(76-62)64(52-35-39-54(40-36-52)70-79-45-72(11,12)46-80-70)67-48(6)56(30-26-22-18-14-2)60(74-67)41-59(55)73-65/h33-42,69-70,73,76H,13-32,43-46H2,1-12H3/b59-41-,60-41-,61-42-,62-42-,65-63-,66-63-,67-64-,68-64-
InChI key：
NRYQZIIQRLEXLK-HRWPOTNBSA-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)C2OCC(C)(C)CO2)/c(C)c3CCCCCC)C(=C1C)CCCCCC)/c1ccc(cc1)C1OCC(C)(C)CO1
Systematic name (1)：
- 5,15-ビス[4-(5,5-ジメチル-1,3-ジオキサン-2-イル)フェニル]-2,8,12,18-テトラヘキシル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン
- 5,15-Bis[4-(5,5-dimethyl-1,3-dioxane-2-yl)phenyl]-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
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