Chem
J-GLOBAL ID:200907020935028656
Nikkaji number:J1.232.576B
5,10,15,20-Tetraphenyl-17,18-(2-cyclohexene-1,4-diyl)-[12,13-(2-cyclohexene-1,4-diyl)-[7,8-(2-cyclohexene-1,4-diyl)-[2,3-(2-cyclohexene-1,4-diyl)-21H,23H-porphyrin]]]
5,10,15,20-テトラフェニル-17,18-(2-シクロヘキセン-1,4-ジイル)-[12,13-(2-シクロヘキセン-1,4-ジイル)-[7,8-(2-シクロヘキセン-1,4-ジイル)-[2,3-(2-シクロヘキセン-1,4-ジイル)-21H,23H-ポルフィリン]]]
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Substance type:
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
Molecular formula:
C68 H54 N4
Molecular formula furigana:
C68-H54-N4
Molecular weight:
927.208
InChI:
InChI=1S/C68H54N4/c1-5-13-37(14-6-1)57-61-49-41-21-25-43(26-22-41)51(49)63(69-61)58(38-15-7-2-8-16-38)65-53-45-29-33-47(34-30-45)55(53)67(71-65)60(40-19-11-4-12-20-40)68-56-48-35-31-46(32-36-48)54(56)66(72-68)59(39-17-9-3-10-18-39)64-52-44-27-23-42(24-28-44)50(52)62(57)70-64/h1-21,23,25,27,29,31,33,35,41-48,69,72H,22,24,26,28,30,32,34,36H2/b61-57-,62-57-,63-58-,64-59-,65-58-,66-59-,67-60-,68-60-
InChI key:
OAHPLBZXAPSKEK-IJVYCDDVSA-N
SMILES:
C1CC2C=CC1C1=C2C2=N/C/1=C(/c1ccccc1)\c1[nH]c(c3C4CCC(C=C4)c13)/C(=C/1\N=C(C3=C1C1CCC3C=C1)/C(=c/1\[nH]/c(=C\2/c2ccccc2)/c2C3CCC(C=C3)c12)/c1ccccc1)/c1ccccc1
Systematic name (3):
5,10,15,20-テトラフェニル-17,18-(2-シクロヘキセン-1,4-ジイル)-[12,13-(2-シクロヘキセン-1,4-ジイル)-[7,8-(2-シクロヘキセン-1,4-ジイル)-[2,3-(2-シクロヘキセン-1,4-ジイル)-21H,23H-ポルフィリン]]]
4,13,22,31-テトラフェニル-39,40,43,46-テトラアザトリデカシクロ[32.2.2.27,10 .216,19 .225,28 .13,32 .15,12 .114,21 .123,30 .02,33 .06,11 .015,20 .024,29 ]オクタテトラコンタ-2,4,6(11),8,12(46),13,15(20),17,21,23(40),24(29),26,30,32,35-ペンタデカエン
4,13,22,31-tetraphenyl-39,40,43,46-tetraazatridecacyclo[32.2.2.27,10 .216,19 .225,28 .13,32 .15,12 .114,21 .123,30 .02,33 .06,11 .015,20 .024,29 ]octatetraconta-2,4,6(11),8,12(46),13,15(20),17,21,23(40),24(29),26,30,32,35-pentadecaene
Other name (1):
5,10,15,20-Tetraphenyl-17,18-(2-cyclohexene-1,4-diyl)-[12,13-(2-cyclohexene-1,4-diyl)-[7,8-(2-cyclohexene-1,4-diyl)-[2,3-(2-cyclohexene-1,4-diyl)-21H,23H-porphyrin]]]
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