CAS 298-95-3|2-{4-[4-(diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)phenyl]phenyl}-3,5-diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium dichloride|NEOTETRAZOLIUM CHLORIDE DIFORMAZAN|2-{4-[4-(diphenyl-3H-1,2$l...

基本信息

化学结构

分子式

C₃₈H₂₈Cl₂N₈

分子量

667.58852

精确质量

666.1813983

电荷

InChI

InChI=1S/C38H28N8.2ClH/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34;;/h1-28H;2*1H/q+2;;/p-2

InChIKey

WYFYSTBFFDOVJW-UHFFFAOYSA-L

Canonic Smiles

c1ccc(cc1)n1nc(n[n+]1c1ccc(cc1)c1ccc(cc1)[n+]1nc(nn1c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]

Isomeric Smiles

c1ccc(cc1)c1nn(c2ccccc2)[n+](n1)c1ccc(cc1)c1ccc(cc1)[n+]1nc(nn1c1ccccc1)c1ccccc1.[Cl-].[Cl-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.0182514

LogD (pH = 7.4)

5.0182514

Log P

5.0182514

摩尔折射率

247.6842

极化性

73.77154

极化表面积

69.18

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

2-{4-[4-(diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)phenyl]phenyl}-3,5-diphenyl-1,2$l^{5},3,4-tetrazol-2-ylium dichloride 2-{4-[4-(diphenyl-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl)phenyl]phenyl}-3,5-diphenyl-1,2λ⁵,3,4-tetrazol-2-ylium dichloride

别名

NEOTETRAZOLIUM CHLORIDE DIFORMAZAN2,2',5,5'-Tetraphenyl-3,3'[p-di-phenylene]ditetrazolium chlorideNEOTETRAZOLIUM CHLORIDE3,3'-(4,4'-Biphenylene)bis(2,5-diphenyl-2H-tetrazolium chlorideNeotetrazolium chloride formNTC3,3′-(4,4′-联苯基)双(2,5-二苯基-2H-四唑鎓氯化物)新四氮唑新四唑氯化物形式NeoT2,2′,5,5′-Tetraphenyl-3,3′-(p-diphenylene)ditetrazolium chloride氯化新四唑3,3′-(4,4′-Biphenylene)bis(2,5-diphenyl-2H-tetrazolium chloride)Neotetrazolium chloride3,3′-(4,4′-亚联苯基)双(2,5-二苯基-2H-氯化四唑)

IUPAC标准名

2-{4-[4-(diphenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl)phenyl]phenyl}-3,5-diphenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium dichloride 2-{4-[4-(diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl)phenyl]phenyl}-3,5-diphenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium dichloride

名称和标识

数据登录号

EC号

CAS号

Beilstein号

MDL号

PubChem CID