Chem
J-GLOBAL ID：200907036363148080
Nikkaji number：J2.323.113A
5,15-Bis(2,6-dimethoxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
5,15-ビス(2,6-ジメトキシフェニル)-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： C64H86N4O4
Molecular formula furigana： C64-H86-N4-O4
Molecular weight： 975.416
InChI：
InChI=1S/C64H86N4O4/c1-13-17-21-25-31-45-41(5)61-59(57-53(69-9)35-29-36-54(57)70-10)62-43(7)47(33-27-23-19-15-3)51(67-62)40-52-48(34-28-24-20-16-4)44(8)64(68-52)60(58-55(71-11)37-30-38-56(58)72-12)63-42(6)46(32-26-22-18-14-2)50(66-63)39-49(45)65-61/h29-30,35-40,65,68H,13-28,31-34H2,1-12H3/b49-39-,50-39-,51-40-,52-40-,61-59-,62-59-,63-60-,64-60-
InChI key：
PNZZYRSPMDFFAQ-SBYVRXPLSA-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/c2c(OC)cccc2OC)/c(C)c3CCCCCC)C(=C1C)CCCCCC)/c1c(OC)cccc1OC
Systematic name (1)：
- 5,15-ビス(2,6-ジメトキシフェニル)-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(2,6-dimethoxyphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
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