Chem
J-GLOBAL ID：200907020251817252
Nikkaji number：J1.068.131F
3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-[(pentafluorobenzoyl)amino]phenyl]-21H,23H-porphyrin
3,7,13,17-テトラメチル-2,8,12,18-テトラエチル-5,15-ビス[2-[(ペンタフルオロベンゾイル)アミノ]フェニル]-21H,23H-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： C58H46F10N6O2
Molecular formula furigana： C58-H46-F10-N6-O2
Molecular weight： 1049.030
InChI：
InChI=1S/C58H46F10N6O2/c1-9-27-23(5)53-39(31-17-13-15-19-33(31)73-57(75)41-43(59)47(63)51(67)48(64)44(41)60)54-25(7)29(11-3)37(71-54)22-38-30(12-4)26(8)56(72-38)40(55-24(6)28(10-2)36(70-55)21-35(27)69-53)32-18-14-16-20-34(32)74-58(76)42-45(61)49(65)52(68)50(66)46(42)62/h13-22,69,72H,9-12H2,1-8H3,(H,73,75)(H,74,76)/b35-21-,36-21-,37-22-,38-22-,53-39-,54-39-,55-40-,56-40-
InChI key：
PXMPHLZKFTWBKT-VZGPTBNISA-N
SMILES：
CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccccc2NC(=O)c2c(F)c(F)c(F)c(F)c2F)/c(C)c3CC)C(=C1C)CC)/c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
Systematic name (1)：
- 3,7,13,17-テトラメチル-2,8,12,18-テトラエチル-5,15-ビス[2-[(ペンタフルオロベンゾイル)アミノ]フェニル]-21H,23H-ポルフィリン
- 3,7,13,17-Tetramethyl-2,8,12,18-tetraethyl-5,15-bis[2-[(pentafluorobenzoyl)amino]phenyl]-21H,23H-porphyrin
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