5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; tetraphenylboranuide

Systemtic Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; tetraphenylboranuide Openeye Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; tetraphenylboranuide CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; tetraphenylboranuide IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; tetraphenylboranuide Traditional Name: (3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine; tetraphenylboranuide Formula: C45H40BN3 MolecularWeight: 633.6302

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

InChI

InChI=1S/C24H20B.C21H19N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h1-20H;3-13,23H,2,22H2,1H3/q-1;/p+1