Chem
J-GLOBAL ID：200907060355642294
Nikkaji number：J1.232.577K
7,18-Dibutyl-8,17-dimethyl-21H,23H-dibenzo[b,l]porphyrin
7,18-ジブチル-8,17-ジメチル-21H,23H-ジベンゾ[b,l]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： C38H38N4
Molecular formula furigana： C38-H38-N4
Molecular weight： 550.750
InChI：
InChI=1S/C38H38N4/c1-5-7-13-25-23(3)31-19-35-27-15-9-10-16-28(27)36(41-35)20-32-24(4)26(14-8-6-2)34(40-32)22-38-30-18-12-11-17-29(30)37(42-38)21-33(25)39-31/h9-12,15-22,41-42H,5-8,13-14H2,1-4H3/b31-19-,32-20-,33-21-,34-22-,35-19-,36-20-,37-21-,38-22-
InChI key：
HJVJYDYILDMUFZ-DRTHJTEJSA-N
SMILES：
CCCCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c2c4cccc2)C(=C3CCCC)C)c2c1cccc2
Systematic name (3)：
- 7,18-ジブチル-8,17-ジメチル-21H,23H-ジベンゾ[b,l]ポルフィリン
- 5,18-ジブチル-4,19-ジメチル-29,30,31,32-テトラアザヘプタシクロ[20.6.1.13,6.18,15.117,20.09,14.023,28]ドトリアコンタ-1,3(32),4,6,8,10,12,14,16,18,20(30),21,23,25,27-ペンタデカエン
- 5,18-dibutyl-4,19-dimethyl-29,30,31,32-tetraazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3(32),4,6,8,10,12,14,16,18,20(30),21,23,25,27-pentadecaene
- 7,18-Dibutyl-8,17-dimethyl-21H,23H-dibenzo[b,l]porphyrin
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