Benzo[4,5]cyclohepta[1,2,3-bc]acenaphthylene | 71133-87-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Benzo[4,5]cyclohepta[1,2,3-bc]acenaphthylene
• 英文别名: Benzo(4,5)cyclohept(1,2,3-bc)acenaphthylene；pentacyclo[15.2.1.04,9.010,19.013,18]icosa-1(20),2,4,6,8,10(19),11,13(18),14,16-decaene
• CAS: 71133-87-4
• 化学式: C₂₀H₁₂
• 分子量: 252.315
• InChiKey: WCZCWKXKUDZXDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4,4a,5,6,6a,7,8,9-Octahydro-benzo[4,5]cyclohepta[1,2,3-bc]acenaphthylen-9-ol 在 sulfur 作用下， 生成 Benzo[4,5]cyclohepta[1,2,3-bc]acenaphthylene
  参考文献：
  名称：

  BENZO[4,5]CYCLOHEPT[1,2,3-bc]ACENAPHTHYLENE AND BENZO[a]NAPHTH[3,4,4a,5-cde]AZULENE. NONALTERNANT ISOMERS OF BENZO[a]PYRENE

  摘要：

  In order to examine the biological activities of the nonalternant isomers of potent carcinogen benzo[a]pyrene, benzo[4,5]cyclohept[1,2,3-bc]acenaphthylene (2) and benzo[a]naphth[3,4,4a,5-cde]azulene (3), were synthesized. Some properties of 2 and 3 were also described.

  DOI：

  10.1246/cl.1979.537

文献信息

• TODO EISHIRO; YAMAMOTO KAGETOSHI; MURATA ICHIRO, CHEM. LETTERS, 1979, NO 5, 537-540
  作者：TODO EISHIRO、 YAMAMOTO KAGETOSHI、 MURATA ICHIRO

  DOI：——

  日期：——
• BENZO[4,5]CYCLOHEPT[1,2,3-<i>bc</i>]ACENAPHTHYLENE AND BENZO[<i>a</i>]NAPHTH[3,4,4a,5-<i>cde</i>]AZULENE. NONALTERNANT ISOMERS OF BENZO[<i>a</i>]PYRENE
  作者：Eishiro Todo、Kagetoshi Yamamoto、Ichiro Murata

  DOI：10.1246/cl.1979.537

  日期：1979.5.5

  In order to examine the biological activities of the nonalternant isomers of potent carcinogen benzo[a]pyrene, benzo[4,5]cyclohept[1,2,3-bc]acenaphthylene (2) and benzo[a]naphth[3,4,4a,5-cde]azulene (3), were synthesized. Some properties of 2 and 3 were also described.