5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine; tetraphenylboranuide

Systemtic Name: 5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine; tetraphenylboranuide Openeye Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine; tetraphenylboranuide CAS Name: 5-chloro-2,6-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-4-pyrimidinamine; tetraphenylboranuide IUPAC Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine; tetraphenylboranuide Traditional Name: [1-[4-amino-5-chloro-6-[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-2-yl]pyridin-1-ium-4-yl]-dimethyl-amine; tetraphenylboranuide Formula: C66H62B2ClN7 MolecularWeight: 1010.32038

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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.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)N)Cl

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)N)Cl

InChI

InChI=1S/2C24H20B.C18H22ClN7/c2*1-5-13-21(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;1-23(2)13-5-9-25(10-6-13)17-15(19)16(20)21-18(22-17)26-11-7-14(8-12-26)24(3)4/h2*1-20H;5-12H,1-4H3,(H2,20,21,22)/q2*-1;+2