Chem
J-GLOBAL ID：200907060258231123
Nikkaji number：J2.014.928K
5,10,15,20-Tetrakis(1,2,3,4,5,6,7,8-octahydro-1,4:5,8-dimethanoanthracene-9-yl)-21H,23H-porphyrin
5,10,15,20-テトラキス(1,2,3,4,5,6,7,8-オクタヒドロ-1,4:5,8-ジメタノアントラセン-9-イル)-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： C84H78N4
Molecular formula furigana： C84-H78-N4
Molecular weight： 1143.576
InChI：
InChI=1S/C84H78N4/c1-9-45-25-37(1)53-33-54-38-2-10-46(26-38)70(54)81(69(45)53)77-61-17-19-63(85-61)78(82-71-47-11-3-39(27-47)55(71)34-56-40-4-12-48(28-40)72(56)82)65-21-23-67(87-65)80(84-75-51-15-7-43(31-51)59(75)36-60-44-8-16-52(32-44)76(60)84)68-24-22-66(88-68)79(64-20-18-62(77)86-64)83-73-49-13-5-41(29-49)57(73)35-58-42-6-14-50(30-42)74(58)83/h17-24,33-52,85,88H,1-16,25-32H2/b77-61-,77-62?,78-63-,78-65?,79-64-,79-66?,80-67-,80-68?
InChI key：
VANNILSRTLRUPW-BFSCZWHOSA-N
SMILES：
C1CC2CC1c1cc3C4CCC(C4)c3c(c21)C1=c2ccc(=C(C3=NC(=C(c4ccc(C(=C5C=CC1=N5)c1c5C6CCC(C6)c5cc5C6CCC(C6)c15)[nH]4)c1c4C5CCC(C5)c4cc4C5CCC(C5)c14)C=C3)c1c3C4CCC(C4)c3cc3C4CCC(C4)c13)[nH]2
Systematic name (1)：
- 5,10,15,20-テトラキス(1,2,3,4,5,6,7,8-オクタヒドロ-1,4:5,8-ジメタノアントラセン-9-イル)-21H,23H-ポルフィリン
- 5,10,15,20-Tetrakis(1,2,3,4,5,6,7,8-octahydro-1,4:5,8-dimethanoanthracene-9-yl)-21H,23H-porphyrin
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