tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

• ChemBase编号: 126957
• 分子式: C15H14
• 平均质量: 194.27166
• 单一同位素质量: 194.10955045
• SMILES: c1cc2c(cc1)Cc1c(cccc1)CC2
• Canonical SMILES: c1ccc2c(c1)CCc1c(C2)cccc1
• InChI: InChI=1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
• InChIKey: PJQCANLCUDUPRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaene; tricyclo[9.4.0.0^3,^8]pentadeca-1(15),3,5,7,11,13-hexaene
• IUPAC传统名: dibenzocycloheptene
• 别名: 10,11-二氢-5H-二苯并[a,d]环庚烯; 10,11-dihydro-5H-dibenzo[a,d]cycloheptene; Dibenzocycloheptene; Dibenzosuberane; 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene; 1,2:4,5-Dibenzocycloheptane; 10,11-Dihydrodibenzo[a,d]cycloheptene; 2,3:6,7-Dibenzosuberan; Dibenzo[a,d][1,4]cycloheptadiene; NSC 86156; Suberane; Dibenzosuberane

登记号

• CAS号: 833-48-7
• EC号: 212-630-5
• MDL号: MFCD00003591
• PubChem SID: 162221283; 24893334
• PubChem CID: 70029
• Chemspider ID: 63219
• 维基百科标题: Dibenzocycloheptene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.6281567
• LogD (pH = 7.4): 4.6281567
• Log P: 4.6281567
• 摩尔折射率: 64.0754 cm^3
• 极化性: 24.584885 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 74-76 °C(lit.)
• 沸点: 160-165 °C/2 mmHg(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C15H14

详细说明

Sigma Aldrich - D104957

包装
5 g in glass bottle

Toronto Research Chemicals - D416935

Dibenzosuberane is used as the base structure of various tricyclic antidepressants. Studies suggest that Dibenzosuberane and its analogues may have anti-viral properties.

参考文献

• Murray, M.A. et al.: Antiviral Res., 44, 123 (1999)