cobalt(3+) ion 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane tris(tetraphenylboranuide)

• ChemBase编号: 148738
• 分子式: C84H90B3CoN8
• 平均质量: 1303.0332
• 单一同位素质量: 1302.68995612
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1CNCN2CNCCNCN(CN1)CNCCNC2.[Co+3]
• Canonical SMILES: C1CNCN2CNCCNCN(CN1)CNCCNC2.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Co+3]
• InChI: InChI=1S/3C24H20B.C12H30N8.Co/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-14-8-20-11-17-5-3-15-9-19(7-13-1)10-16-4-6-18-12-20;/h3*1-20H;13-18H,1-12H2;/q3*-1;;+3
• InChIKey: QWWJCMVEKOXERY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cobalt(3+) ion 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane tris(tetraphenylboranuide)
• IUPAC传统名: cobalt(3+) ion 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane tritetraphenylborate
• 别名: 1,3,6,8,10,13,16,19-八氮杂二环[6.6.6]二十烷三(四苯硼酸)钴; 1,3,6,8,10,13,16,19-Octaazabicyclo[6.6.6]eicosanecobalt tris(tetraphenylborate); Cobalt(III) sepulchrate tris(tetraphenylborate)

登记号

• CAS号: 84821-55-6
• MDL号: MFCD00013153
• PubChem SID: 162242913
• PubChem CID: 12848487

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.9088
• LogD (pH = 7.4): 5.9088
• Log P: 5.9088
• 摩尔折射率: 101.8972 cm^3
• 极化性: 41.872147 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C84H90B3CoN8

详细说明

Sigma Aldrich - 261009

Physical form
cobalt(III) sepulchrate 的有机可溶形式