Product Information
Canonical SMILES
CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]
Inchi
InChI=1S/C44H36N8.5ClH.Mn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;5*1H;/q+2;+3/p-5
InChIKey
OHZZTXYKLXZFSZ-UHFFFAOYSA-I
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
0
Precautionary Statements
P260 P262
Monoisotopic Mass
906.0886
Topological Polar Surface Area
53 Ų