Chem
J-GLOBAL ID：201907006742984309
Nikkaji number：J3.731.731D
71,73,123,173,223-ペンタキス(3,5-ジメトキシフェニル)-121,10:171,15:221,20-トリス(3,5-ジメトキシ-1,2-フェニレン)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
71,73,123,173,223-ペンタキス(3,5-ジメトキシフェニル)-121,10:171,15:221,20-トリス(3,5-ジメトキシ-1,2-フェニレン)-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： C100H80N4O16
Molecular formula furigana： C100-H80-N4-O16
Molecular weight： 1593.752
InChI：
InChI=1S/C100H80N4O16/c1-105-56-17-47(18-57(35-56)106-2)51-27-69(55-25-64(113-9)39-65(26-55)114-10)85-77(32-51)95-92-89-74(41-67(116-12)43-82(89)118-14)71-29-54(50-23-62(111-7)38-63(24-50)112-8)34-79-87(71)99(92)104-97(79)94-91-75(42-68(117-13)45-84(91)120-16)72-30-53(49-21-60(109-5)37-61(22-49)110-6)33-78-88(72)100(94)103-96(78)93-90-73(40-66(115-11)44-83(90)119-15)70-28-52(48-19-58(107-3)36-59(20-48)108-4)31-76-80(46-81(85)102-95)101-98(93)86(70)76/h17-46,101,104H,1-16H3/b80-46-,81-46-,95-92-,96-93-,97-94-
InChI key：
XULIEWLBVOWSTG-LMCPKMKJSA-N
SMILES：
c1(cc2c3c4=N/C(=c/5\c6[nH]c(/C=C/7\N=C(c8c7c(cc(c8)c7cc(cc(c7)OC)OC)c7cc(cc(c7)OC)OC)c7c8[nH]/c(=c\4/c4c2cc(cc4OC)OC)/c2c8c(cc(c2)c2cc(cc(c2)OC)OC)c2c7c(cc(c2)OC)OC)c2c6c(cc(c2)c2cc(cc(c2)OC)OC)c2c5c(cc(c2)OC)OC)/c3c1)c1cc(cc(c1)OC)OC
Systematic name (3)：
- 71,73,123,173,223-ペンタキス(3,5-ジメトキシフェニル)-121,10:171,15:221,20-トリス(3,5-ジメトキシ-1,2-フェニレン)-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
- 11,27,43,53,55-ペンタキス(3,5-ジメトキシフェニル)-4,6,20,22,36,38-ヘキサメトキシ-16,32,48,58-テトラアザペンタデカシクロ[49.6.1.02,15.03,8.09,14.013,17.018,31.019,24.025,30.029,33.034,47.035,40.041,46.045,49.052,57]オクタペンタコンタ-1(58),2(15),3,5,7,9(14),10,12,17,19,21,23,25(30),26,28,31,33,35,37,39,41,43,45(49),46,50,52,54,56-オクタコサエン
- 11,27,43,53,55-Pentakis(3,5-dimethoxyphenyl)-4,6,20,22,36,38-hexamethoxy-16,32,48,58-tetraazapentadecacyclo[49.6.1.02,15.03,8.09,14.013,17.018,31.019,24.025,30.029,33.034,47.035,40.041,46.045,49.052,57]octapentaconta-1(58),2(15),3,5,7,9(14),10,12,17,19,21,23,25(30),26,28,31,33,35,37,39,41,43,45(49),46,50,52,54,56-octacosaene
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