Chem
J-GLOBAL ID:200907025992137102   Nikkaji number:J2.268.538D

5,10,15,20-Tetrakis(4-methylphenyl)-7,8-[3-(2,6-dichlorophenyl)-1-oxa-2-aza-2-propene-1,3-diyl]-17,18-[3-(2,6-dichlorophenyl)-1-oxa-2-aza-2-propene-1,3-diyl]-7,8,17,18-tetrahydro-21H,23H-porphyrin

5,10,15,20-テトラキス(4-メチルフェニル)-7,8-[3-(2,6-ジクロロフェニル)-1-オキサ-2-アザ-2-プロペン-1,3-ジイル]-17,18-[3-(2,6-ジクロロフェニル)-1-オキサ-2-アザ-2-プロペン-1,3-ジイル]-7,8,17,18-テトラヒドロ-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: C62H44Cl4N6O2
Molecular formula furigana: C62-H44-CL4-N6-O2
Molecular weight: 1046.869
InChI: InChI=1S/C62H44Cl4N6O2/c1-31-11-19-35(20-12-31)47-43-27-29-45(67-43)49(37-23-15-33(3)16-24-37)60-62-54(58(72-74-62)52-41(65)9-6-10-42(52)66)56(70-60)48(36-21-13-32(2)14-22-36)44-28-30-46(68-44)50(38-25-17-34(4)18-26-38)59-61-53(55(47)69-59)57(71-73-61)51-39(63)7-5-8-40(51)64/h5-30,53-54,61-62,67-68H,1-4H3/b47-43-,48-44-,49-45-,50-46-,55-47-,56-48-,59-50-,60-49-
InChI key: VKQKRPFGEOEONU-BMLBQBRASA-N
SMILES: Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C/5\N=C1C1C5C(=NO1)c1c(Cl)cccc1Cl)/c1ccc(C)cc1)[nH]4)/c1ccc(C)cc1)/C1C3C(=NO1)c1c(Cl)cccc1Cl)\c1ccc(C)cc1)/[nH]2
Systematic name  (3):
  • 5,10,15,20-テトラキス(4-メチルフェニル)-7,8-[3-(2,6-ジクロロフェニル)-1-オキサ-2-アザ-2-プロペン-1,3-ジイル]-17,18-[3-(2,6-ジクロロフェニル)-1-オキサ-2-アザ-2-プロペン-1,3-ジイル]-7,8,17,18-テトラヒドロ-21H,23H-ポルフィリン
  • 12,25-ビス(2,6-ジクロロフェニル)-2,7,15,20-テトラキス(4-メチルフェニル)-10,23-ジオキサ-11,24,27,28,29,30-ヘキサアザヘプタシクロ[19.5.1.13,6.18,14.116,19.09,13.022,26]トリアコンタ-1,3,5,7,11,14(29),15,17,19,21(27),24-ウンデカエン
  • 12,25-bis(2,6-dichlorophenyl)-2,7,15,20-tetrakis(4-methylphenyl)-10,23-dioxa-11,24,27,28,29,30-hexaazaheptacyclo[19.5.1.13,6.18,14.116,19.09,13.022,26]triaconta-1,3,5,7,11,14(29),15,17,19,21(27),24-undecaene
Other name (1):
  • 5,10,15,20-Tetrakis(4-methylphenyl)-7,8-[3-(2,6-dichlorophenyl)-1-oxa-2-aza-2-propene-1,3-diyl]-17,18-[3-(2,6-dichlorophenyl)-1-oxa-2-aza-2-propene-1,3-diyl]-7,8,17,18-tetrahydro-21H,23H-porphyrin
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