Chem
J-GLOBAL ID：200907030572407507
Nikkaji number：J1.207.097G
72,73-[2,3-(1,3-Butadiene-1,4-diyl)-1,3-butadiene-1,4-diyl]-21H,23H-tetrabenzo[b,g,l,q]porphyrin
72,73-[2,3-(1,3-ブタジエン-1,4-ジイル)-1,3-ブタジエン-1,4-ジイル]-21H,23H-テトラベンゾ[b,g,l,q]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： C44H26N4
Molecular formula furigana： C44-H26-N4
Molecular weight： 610.720
InChI：
InChI=1S/C44H26N4/c1-2-10-26-18-28-20-36-35(19-27(28)17-25(26)9-1)43-23-41-33-15-7-5-13-31(33)39(46-41)21-37-29-11-3-4-12-30(29)38(45-37)22-40-32-14-6-8-16-34(32)42(47-40)24-44(36)48-43/h1-24,46-47H/b37-21-,38-22-,39-21-,40-22-,41-23-,42-24-,43-23-,44-24-
InChI key：
SECMNSQVSCUXDC-NREDUPTRSA-N
SMILES：
c1ccc2C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=c/6\[nH]/c(=C\3)/c3c6cccc3)c3c5cc5cc6ccccc6cc5c3)c3c4cccc3)/c2c1
Systematic name (3)：
- 72,73-[2,3-(1,3-ブタジエン-1,4-ジイル)-1,3-ブタジエン-1,4-ジイル]-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
- 45,46,47,48-テトラアザウンデカシクロ[28.14.1.13,10.112,19.121,28.04,9.013,18.022,27.031,44.033,42.035,40]オクタテトラコンタ-1,3,5,7,9,11,13,15,17,19(47),20,22,24,26,28,30(45),31,33,35,37,39,41,43-トリコサエン
- 45,46,47,48-tetraazaundecacyclo[28.14.1.13,10.112,19.121,28.04,9.013,18.022,27.031,44.033,42.035,40]octatetraconta-1,3,5,7,9,11,13,15,17,19(47),20,22,24,26,28,30(45),31,33,35,37,39,41,43-tricosaene
- 72,73-[2,3-(1,3-Butadiene-1,4-diyl)-1,3-butadiene-1,4-diyl]-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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