[N,N,N,N',N',N',N'',N'',N''-九甲 基-29H-31H-酞菁三甲基铵(2-)合 N29,N30,N31,N32]三氯化铜(3+)
Copper(3+), (N,N,N,N',N',N',N'',N'',N''-nonamethyl-29H,31H-phthalocyanine-C,C,C-trimethanaminiumato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chloride (1:3) · CAS 26854-10-4
- 中文名
- [N,N,N,N',N',N',N'',N'',N''-九甲 基-29H-31H-酞菁三甲基铵(2-)合 N29,N30,N31,N32]三氯化铜(3+)
- 中文别名
- 暂无
- 英文名
- Copper(3+), (N,N,N,N',N',N',N'',N'',N''-nonamethyl-29H,31H-phthalocyanine-C,C,C-trimethanaminiumato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chloride (1:3)
- CAS
- 26854-10-4
- CID
- 138398859
- IUPAC 名称
- copper;[16,24-bis[(trimethylazaniumyl)methyl]-2,11,20,37,39,40-hexaza-29,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31,33,35-nonadecaen-6-yl]methyl-trimethylazanium;trichloride
名称与编号
- 中文名
- [N,N,N,N',N',N',N'',N'',N''-九甲 基-29H-31H-酞菁三甲基铵(2-)合 N29,N30,N31,N32]三氯化铜(3+)
- 中文别名
- 暂无
- 英文名
- Copper(3+), (N,N,N,N',N',N',N'',N'',N''-nonamethyl-29H,31H-phthalocyanine-C,C,C-trimethanaminiumato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chloride (1:3)
- CAS
- 26854-10-4
- CID
- 138398859
- IUPAC 名称
- copper;[16,24-bis[(trimethylazaniumyl)methyl]-2,11,20,37,39,40-hexaza-29,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31,33,35-nonadecaen-6-yl]methyl-trimethylazanium;trichloride
分子属性
- 分子式
- C44H46Cl3CuN11
- 分子量
- 898.8 g/mol
- 精确质量
- 896.229921 Da
- 单同位素质量
- 896.229921 Da
- XLogP
- 暂无
- 极性表面积
- 79.3 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1320
结构标识
- InChIKey
- BDKFRAGQNNFREH-UHFFFAOYSA-K
- SMILES
- C[N+](C)(C)CC1=CC2=C(C=C1)C3=NC2=NC4=C5C=C(C=CC5=C([N-]4)[N-]C6=NC(=NC7=NC(=N3)C8=C7C=C(C=C8)C[N+](C)(C)C)C9=CC=CC=C96)C[N+](C)(C)C.[Cl-].[Cl-].[Cl-].[Cu+2]
- InChI
- InChI=1S/C44H46N11.3ClH.Cu/c1-53(2,3)23-26-14-17-31-34(20-26)42-48-38-30-13-11-10-12-29(30)37(45-38)46-39-32-18-15-27(24-54(4,5)6)21-35(32)43(50-39)52-44-36-22-28(25-55(7,8)9)16-19-33(36)41(51-44)47-40(31)49-42;;;;/h10-22H,23-25H2,1-9H3;3*1H;/q+1;;;;+2/p-3