(SP-5-12)-[37H,39H-四萘酚[2,3-b:2',3'-g:2'',3''-l:2''',3'''-q]四氮杂卟啉根合(2-)-.kappa.N37,.kappa.N38,.kappa.N39,.kappa.N40]氧化钒
Vanadyl 2,3-naphthalocyanine · CAS 33273-15-3
- 中文名
- (SP-5-12)-[37H,39H-四萘酚[2,3-b:2',3'-g:2'',3''-l:2''',3'''-q]四氮杂卟啉根合(2-)-.kappa.N37,.kappa.N38,.kappa.N39,.kappa.N40]氧化钒
- 中文别名
- 暂无
- 英文名
- Vanadyl 2,3-naphthalocyanine
- CAS
- 33273-15-3
- CID
- 5148172
- IUPAC 名称
- 2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;oxovanadium(2+)
名称与编号
- 中文名
- (SP-5-12)-[37H,39H-四萘酚[2,3-b:2',3'-g:2'',3''-l:2''',3'''-q]四氮杂卟啉根合(2-)-.kappa.N37,.kappa.N38,.kappa.N39,.kappa.N40]氧化钒
- 中文别名
- 暂无
- 英文名
- Vanadyl 2,3-naphthalocyanine
- CAS
- 33273-15-3
- CID
- 5148172
- IUPAC 名称
- 2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;oxovanadium(2+)
分子属性
- 分子式
- C48H24N8OV
- 分子量
- 779.7 g/mol
- 精确质量
- 779.151265 Da
- 单同位素质量
- 779.151265 Da
- XLogP
- 暂无
- 极性表面积
- 93.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 0
- 重原子数
- 58
- 净电荷
- 0
- 结构复杂度
- 1440
结构标识
- InChIKey
- IVUBJNPDPBDVLT-UHFFFAOYSA-N
- SMILES
- C1=CC=C2C=C3C(=CC2=C1)C4=NC5=NC(=NC6=C7C=C8C=CC=CC8=CC7=C([N-]6)N=C9C1=CC2=CC=CC=C2C=C1C(=N9)N=C3[N-]4)C1=CC2=CC=CC=C2C=C15.O=[V+2]
- InChI
- InChI=1S/C48H24N8.O.V/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;;/h1-24H;;/q-2;;+2