Chem
J-GLOBAL ID：201407067087658160   Nikkaji number：J3.250.423J

2,8,12,18-Tetramethyl-3,7,13,17-tetrabutyl-5,15-dithia-21H,23H-porphyrin

2,8,12,18-テトラメチル-3,7,13,17-テトラブチル-5,15-ジチア-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： C38H52N4S2
Molecular formula furigana： C38-H52-N4-S2
Molecular weight： 628.980
InChI： InChI=1S/C38H52N4S2/c1-9-13-17-27-23(5)31-21-32-25(7)29(19-15-11-3)37(41-32)44-38-30(20-16-12-4)26(8)34(42-38)22-33-24(6)28(18-14-10-2)36(40-33)43-35(27)39-31/h21-22,39,42H,9-20H2,1-8H3/b32-21-,33-22-
InChI key： VVCPFTFTLPMEQI-PVZQIEDDSA-N
SMILES： CCCCC1=C(C)/C/2=C/c3[nH]c(SC4=N/C(=C\c5[nH]c(SC1=N2)c(CCCC)c5C)/C(=C4CCCC)C)c(CCCC)c3C
Systematic name  (3)：
  • 2,8,12,18-テトラメチル-3,7,13,17-テトラブチル-5,15-ジチア-21H,23H-ポルフィリン
  • 4,10,14,20-テトラブチル-5,9,15,19-テトラメチル-2,12-ジチア-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(21),3,5,7,9,11(23),13,15,17,19-デカエン
  • 4,10,14,20-tetrabutyl-5,9,15,19-tetramethyl-2,12-dithia-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,7,9,11(23),13,15,17,19-decaene
Other name (1)：
  • 2,8,12,18-Tetramethyl-3,7,13,17-tetrabutyl-5,15-dithia-21H,23H-porphyrin
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