dimethyl[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]amine

• ChemBase编号: 79837
• 分子式: C16H11N5O8
• 平均质量: 401.28724
• 单一同位素质量: 401.06076234
• SMILES: [N+](=O)(c1c2c(cc(c1)[N+](=O)[O-])/C(=C\N(C)C)/c1c2c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-]
• Canonical SMILES: CN(/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C
• InChI: InChI=1S/C16H11N5O8/c1-17(2)7-12-10-3-8(18(22)23)5-13(20(26)27)15(10)16-11(12)4-9(19(24)25)6-14(16)21(28)29/h3-7H,1-2H3
• InChIKey: XXJLKVFHHFMPRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]amine
• IUPAC传统名: dimethyl[(2,4,5,7-tetranitrofluoren-9-ylidene)methyl]amine
• 别名: N,N-dimethyl-N-[(2,4,5,7-tetranitro-9H-fluoren-9-yliden)methyl]amine

登记号

• MDL号: MFCD00218426
• PubChem SID: 162044600
• PubChem CID: 2775521

理论计算性质

• 质子受体: 9
• 质子供体: 0
• LogD (pH = 5.5): 1.6335363
• LogD (pH = 7.4): 3.012858
• Log P: 3.1650977
• 摩尔折射率: 111.3785 cm^3
• 极化性: 36.545162 Å^3
• 极化表面积: 186.52 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true