HIT ID: HIT212716511
Cas No: 4569-88-4
分子式: C30H24ClN5O
分子量: 506.01
常用名: Janus blue
氢键受体数 (HBA): 1
氢键供体数 (HBD): 3
LogP: 8.23
IUPAC: 3-amino-7-[(1E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2,8-dimethyl-5-phenyl-5lambda5-phenazin-5-ylium chloride
IUPAC: 3-amino-7-[(1E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2,8-dimethyl-5-phenyl-5lambda5-phenazin-5-ylium chloride
SMILES: [Cl-].Cc1cc2nc3cc(C)c(cc3[n+](-c3ccccc3)c2cc1N)\N=N\c1c(O)ccc2ccccc12
SMILES: [Cl-].Cc1cc2nc3cc(C)c(cc3[n+](-c3ccccc3)c2cc1N)\N=N\c1c(O)ccc2ccccc12
InChI key: SCMDRBZEIUMBBQ-UHFFFAOYSA-N
