Chem
J-GLOBAL ID：201407090473264730   Nikkaji number：J3.308.103K

3,13-Diiodo-2,7,12,17-tetrahexyl-1,4:11,14-diepimino-5,8:18,15-diepinitrilo-cycloicosa-1(20),2,4,6,9,11,13,16,18-nonaene

3,13-ジヨード-2,7,12,17-テトラヘキシル-1,4:11,14-ジエピミノ-5,8:18,15-ジエピニトリロ-シクロイコサ-1(20),2,4,6,9,11,13,16,18-ノナエン
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： C44H60I2N4
Molecular formula furigana： C44-H60-I2-N4
Molecular weight： 898.801
InChI： InChI=1S/C44H62I2N4/c1-5-9-13-17-21-31-29-39-43-41(45)34(24-20-16-12-8-4)38(49-43)28-26-36-32(22-18-14-10-6-2)30-40(48-36)44-42(46)33(23-19-15-11-7-3)37(50-44)27-25-35(31)47-39/h25-30,47-50H,5-24H2,1-4H3/b27-25-,28-26-,35-25-,36-26-,37-27-,38-28-,43-39-,44-40-
InChI key： CMZSOPBUHVNFOH-IYBXBTKUSA-N
SMILES： CCCCCCc1c/c/2=c\3/[nH]/c(=C\C=c/4\c(c/c(=c\5/[nH]/c(=C\C=c\1/[nH]2)/c(c5I)CCCCCC)/[nH]4)CCCCCC)/c(c3I)CCCCCC
Systematic name  (1)：
  • 3,13-ジヨード-2,7,12,17-テトラヘキシル-1,4:11,14-ジエピミノ-5,8:18,15-ジエピニトリロ-シクロイコサ-1(20),2,4,6,9,11,13,16,18-ノナエン
Other name (1)：
  • 3,13-Diiodo-2,7,12,17-tetrahexyl-1,4:11,14-diepimino-5,8:18,15-diepinitrilo-cycloicosa-1(20),2,4,6,9,11,13,16,18-nonaene
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