3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium ditetrafluoroborate

Systemtic Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium ditetrafluoroborate Openeye Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium ditetrafluoroborate CAS Name: 3-(3,8-diazido-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium ditetrafluoroborate IUPAC Name: 3-(3,8-diazido-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium ditetrafluoroborate Traditional Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium ditetrafluoroborate Formula: C27H30B2F8N8 MolecularWeight: 640.189926

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C27H30N8.2BF4/c1-4-35(3,5-2)17-9-16-34-26-19-22(31-33-29)13-15-24(26)23-14-12-21(30-32-28)18-25(23)27(34)20-10-7-6-8-11-20;2*2-1(3,4)5/h6-8,10-15,18-19H,4-5,9,16-17H2,1-3H3;;/q+2;2*-1