Chem
J-GLOBAL ID：201507008272408180   Nikkaji number：J3.429.826B

9-(2,18-Diethyl-3,7,8,12,13,17-hexamethyl-21H,23H-porphyrin-10-yl)-4a,5,5aβ,6,11,11aα,12,12a-octahydronaphthacene-1,4-dione

9-(2,18-ジエチル-3,7,8,12,13,17-ヘキサメチル-21H,23H-ポルフィリン-10-イル)-4a,5,5aβ,6,11,11aα,12,12a-オクタヒドロナフタセン-1,4-ジオン
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： C48H50N4O2
Molecular formula furigana： C48-H50-N4-O2
Molecular weight： 714.954
InChI： InChI=1S/C48H50N4O2/c1-9-34-27(7)40-20-38-23(3)25(5)47(51-38)46(48-26(6)24(4)39(52-48)21-41-28(8)35(10-2)43(50-41)22-42(34)49-40)30-12-11-29-15-32-18-36-37(45(54)14-13-44(36)53)19-33(32)17-31(29)16-30/h11-14,16,20-22,32-33,36-37,49,52H,9-10,15,17-19H2,1-8H3/b38-20-,39-21-,40-20-,41-21-,42-22-,43-22-,47-46-,48-46-/t32-,33-,36?,37?/m0/s1
InChI key： DRNNWTJUMKQIBW-ZBUAUFQLSA-N
SMILES： CCC1=C(C)/C/2=C/c3[nH]c(c(C)c3C)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4C)C(=C3C)C)/c1ccc2C[C@H]3CC4C(C[C@@H]3Cc2c1)C(=O)C=CC4=O
Systematic name  (3)：
  • 9-(2,18-ジエチル-3,7,8,12,13,17-ヘキサメチル-21H,23H-ポルフィリン-10-イル)-4a,5,5aβ,6,11,11aα,12,12a-オクタヒドロナフタセン-1,4-ジオン
  • (5aR,11aR)-8-{10,14-ジエチル-4,5,9,15,19,20-ヘキサメチル-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-イル}-1,4,4a,5,5a,6,11,11a,12,12a-デカヒドロテトラセン-1,4-ジオン
  • (5aR,11aR)-8-{10,14-diethyl-4,5,9,15,19,20-hexamethyl-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-undecaen-2-yl}-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-1,4-dione
Other name (1)：
  • 9-(2,18-Diethyl-3,7,8,12,13,17-hexamethyl-21H,23H-porphyrin-10-yl)-4a,5,5aβ,6,11,11aα,12,12a-octahydronaphthacene-1,4-dione
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