Chem
J-GLOBAL ID：200907030462144403   Nikkaji number：J1.940.715B

2,3,7,8,12,13,17,18-Octaethyl-5-(2-bromoethenyl)-21H,23H-porphyrin

2,3,7,8,12,13,17,18-オクタエチル-5-(2-ブロモエテニル)-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： C38H47BrN4
Molecular formula furigana： C38-H47-BR-N4
Molecular weight： 639.726
InChI： InChI=1S/C38H47BrN4/c1-9-22-24(11-3)33-20-35-26(13-5)28(15-7)37(42-35)30(17-18-39)38-29(16-8)27(14-6)36(43-38)21-34-25(12-4)23(10-2)32(41-34)19-31(22)40-33/h17-21,40,43H,9-16H2,1-8H3/b18-17?,31-19-,32-19-,33-20-,34-21-,35-20-,36-21-,37-30-,38-30-
InChI key： MSELBHPTEPMFAQ-ODDRXAIXSA-N
SMILES： CCC1=C(CC)/C/2=C/c3[nH]c(c(CC)c3CC)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4CC)C(=C3CC)CC)/C=CBr
Systematic name  (3)：
  • 2,3,7,8,12,13,17,18-オクタエチル-5-(2-ブロモエテニル)-21H,23H-ポルフィリン
  • 2-(2-ブロモエテニル)-4,5,9,10,14,15,19,20-オクタエチル-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-(2-bromoethenyl)-4,5,9,10,14,15,19,20-octaethyl-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-undecaene
Other name (1)：
  • 2,3,7,8,12,13,17,18-Octaethyl-5-(2-bromoethenyl)-21H,23H-porphyrin
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