Chem
J-GLOBAL ID：200907030640059563   Nikkaji number：J1.928.440I

Hexabenzocoronene

ヘキサベンゾコロネン
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： C48H24
Molecular formula furigana： C48-H24
Molecular weight： 600.720
InChI： InChI=1S/C48H24/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-34-22-10-12-24-36(34)42-35-23-11-9-21-33(35)40-30-18-6-5-17-29(30)38(26)44-43(37)45(39)47(41)48(42)46(40)44/h1-24H
InChI key： XHJPOZDMDBETDO-UHFFFAOYSA-N
SMILES： c1ccc2c(c1)c1c3ccccc3c3c4ccccc4c4c5ccccc5c5c6ccccc6c6c7ccccc7c2c2c1c3c4c5c62
Systematic name  (4)：
  • ヘキサベンゾ[a,d,g,j,m,p]コロネン
  • 1,2:3,4:5,6:7,8:9,10:11,12-ヘキサ[1,3]ブタジエノコロネン
  • トリデカシクロ[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]オクタテトラコンタ-1(42),2,4,6,8(41),9,11,13,15(40),16,18,20,22(39),23,25,27,29(38),30,32,34,36,43,45,47-テトラコサエン
  • tridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-1(42),2,4,6,8(41),9,11,13,15(40),16,18,20,22(39),23,25,27,29(38),30,32,34,36,43,45,47-tetracosaene
Other name (4)：
  • Hexabenzo[a,d,g,j,m,p]coronene
  • 1,2:3,4:5,6:7,8:9,10:11,12-Hexa[1,3]butadienocoronene
  • ヘキサベンゾコロネン
  • Hexabenzocoronene
CAS registry number： 1065-80-1
Regulation number (1)：
  • EINECS2139047
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