3-(9-ethyl-9H-carbazol-3-yl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase编号: 205024
• 分子式: C30H24N2O3
• 平均质量: 460.52316
• 单一同位素质量: 460.17869264
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C30H24N2O3/c1-3-32-26-11-7-6-9-22(26)24-15-20(12-13-27(24)32)31-16-19-14-25-21-8-4-5-10-23(21)30(33)35-29(25)18(2)28(19)34-17-31/h4-15H,3,16-17H2,1-2H3
• InChIKey: KAJFBIFODKOIGC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(9-ethyl-9H-carbazol-3-yl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC传统名: 3-(9-ethylcarbazol-3-yl)-12-methyl-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

登记号

• PubChem SID: 164260934
• PubChem CID: 1771678

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.750294
• LogD (pH = 7.4): 6.750294
• Log P: 6.750294
• 摩尔折射率: 137.3847 cm^3
• 极化性: 55.67317 Å^3
• 极化表面积: 43.7 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds