(SP-4-2)-1,2,3,9,10,16,17,23,24-九溴代-11,25-二氯代-29H,31H-酞菁 根合(2-)-N29,N30,N31,N32-铜
Copper, (1,2,3,9,10,16,17,23,24-nonabromo-11,25-dichloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-2)- · CAS 68425-85-4
- 中文名
- (SP-4-2)-1,2,3,9,10,16,17,23,24-九溴代-11,25-二氯代-29H,31H-酞菁 根合(2-)-N29,N30,N31,N32-铜
- 中文别名
- 暂无
- 英文名
- Copper, (1,2,3,9,10,16,17,23,24-nonabromo-11,25-dichloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-2)-
- CAS
- 68425-85-4
- CID
- 163231
- IUPAC 名称
- copper 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,37,38,39-hexaza-29,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
名称与编号
- 中文名
- (SP-4-2)-1,2,3,9,10,16,17,23,24-九溴代-11,25-二氯代-29H,31H-酞菁 根合(2-)-N29,N30,N31,N32-铜
- 中文别名
- 暂无
- 英文名
- Copper, (1,2,3,9,10,16,17,23,24-nonabromo-11,25-dichloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-2)-
- CAS
- 68425-85-4
- CID
- 163231
- IUPAC 名称
- copper 6,7,15,16,24,25,32,33,34-nonabromo-8,26-dichloro-2,11,20,37,38,39-hexaza-29,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
分子属性
- 分子式
- C32H5Br9Cl2CuN8
- 分子量
- 1355 g/mol
- 精确质量
- 1352.18786 Da
- 单同位素质量
- 1344.19606 Da
- XLogP
- 暂无
- 极性表面积
- 79.3 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 0
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1310
结构标识
- InChIKey
- OSPDVUVHHYFQBY-UHFFFAOYSA-N
- SMILES
- C1=C2C(=CC(=C1Br)Br)C3=NC2=NC4=C5C(=C([N-]4)N=C6C7=CC(=C(C(=C7C(=N6)[N-]C8=NC(=N3)C9=CC(=C(C(=C98)Cl)Br)Br)Br)Br)Br)C=C(C(=C5Cl)Br)Br.[Cu+2]
- InChI
- InChI=1S/C32H5Br9Cl2N8.Cu/c33-11-1-6-7(2-12(11)34)26-44-25(6)45-28-10-5-15(37)21(40)24(43)18(10)32(50-28)51-30-16-8(3-13(35)19(38)22(16)41)27(48-30)46-29-9-4-14(36)20(39)23(42)17(9)31(47-26)49-29;/h1-5H;/q-2;+2