Chem
J-GLOBAL ID：200907024981973271   Nikkaji number：J2.118.151J

5,15-Bis(2,6-dimethoxyphenyl)-10,20-bis(2,6-dibromophenyl)-21H,23H-porphyrin

5,15-ビス(2,6-ジメトキシフェニル)-10,20-ビス(2,6-ジブロモフェニル)-21H,23H-ポルフィリン
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： C48H34Br4N4O4
Molecular formula furigana： C48-H34-BR4-N4-O4
Molecular weight： 1050.440
InChI： InChI=1S/C48H34Br4N4O4/c1-57-37-13-7-14-38(58-2)47(37)45-33-21-17-29(53-33)43(41-25(49)9-5-10-26(41)50)31-19-23-35(55-31)46(48-39(59-3)15-8-16-40(48)60-4)36-24-20-32(56-36)44(30-18-22-34(45)54-30)42-27(51)11-6-12-28(42)52/h5-24,53,56H,1-4H3/b43-29+,43-31+,44-30+,44-32+,45-33+,45-34+,46-35+,46-36+
InChI key： CXSAUMSNNURIRM-SEASYFSASA-N
SMILES： COc1cccc(OC)c1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(Br)cccc1Br)[nH]4)/c1c(OC)cccc1OC)/C=C3)\c1c(Br)cccc1Br)/[nH]2
Systematic name  (3)：
  • 5,15-ビス(2,6-ジメトキシフェニル)-10,20-ビス(2,6-ジブロモフェニル)-21H,23H-ポルフィリン
  • 2,12-ビス(2,6-ジブロモフェニル)-7,17-ビス(2,6-ジメトキシフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 2,12-bis(2,6-dibromophenyl)-7,17-bis(2,6-dimethoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1)：
  • 5,15-Bis(2,6-dimethoxyphenyl)-10,20-bis(2,6-dibromophenyl)-21H,23H-porphyrin
Thsaurus map：
Thesaurus Map

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