Chem
J-GLOBAL ID：201307076962631052   Nikkaji number：J3.217.114A

8,10-[4-Methoxy-1,2-phenylene[(3-methoxyphenyl)imino]]-5,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin

8,10-[4-メトキシ-1,2-フェニレン[(3-メトキシフェニル)イミノ]]-5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-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： C76H85N5O2
Molecular formula furigana： C76-H85-N5-O2
Molecular weight： 1100.549
InChI： InChI=1S/C76H85N5O2/c1-71(2,3)47-32-44(33-48(38-47)72(4,5)6)66-58-26-27-60(77-58)67(45-34-49(73(7,8)9)39-50(35-45)74(10,11)12)61-30-31-63(79-61)70-69-57(56-25-24-55(83-20)42-65(56)81(70)53-22-21-23-54(41-53)82-19)43-64(80-69)68(62-29-28-59(66)78-62)46-36-51(75(13,14)15)40-52(37-46)76(16,17)18/h21-43,78-79H,1-20H3/b66-58-,66-59-,67-60-,67-61-,68-62-,68-64-,70-63+
InChI key： SHKINBHXVBBJMB-ZJSBXJMJSA-N
SMILES： COc1cccc(c1)n1c2cc(OC)ccc2c2cc3nc2c1c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/3\c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/[nH]1)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 8,10-[4-メトキシ-1,2-フェニレン[(3-メトキシフェニル)イミノ]]-5,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
  • 14,19,24-トリス(3,5-ジ-tert-ブチルフェニル)-6-メトキシ-3-(3-メトキシフェニル)-3,12,28,29,30-ペンタアザヘプタシクロ[23.2.1.110,13.115,18.120,23.02,11.04,9]ヘントリアコンタ-1(27),2(11),4,6,8,10(31),12,14,16,18,20(29),21,23,25-テトラデカエン
  • 14,19,24-tris(3,5-di-tert-butylphenyl)-6-methoxy-3-(3-methoxyphenyl)-3,12,28,29,30-pentaazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.04,9]hentriaconta-1(27),2(11),4,6,8,10(31),12,14,16,18,20(29),21,23,25-tetradecaene
Other name (1)：
  • 8,10-[4-Methoxy-1,2-phenylene[(3-methoxyphenyl)imino]]-5,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
Thsaurus map：
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