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

Systemtic Name: 5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate; tetraphenylboranuide Openeye Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate; tetraphenylboranuide CAS Name: 5-chloro-2,6-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-4-pyrimidinolate; tetraphenylboranuide IUPAC Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate; tetraphenylboranuide Traditional Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-olate; tetraphenylboranuide Formula: C42H40BClN6O MolecularWeight: 691.0706

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

Isomeric SMILES

[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)[O-])Cl

InChI

InChI=1S/C24H20B.C18H20ClN6O/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;1-22(2)13-5-9-24(10-6-13)16-15(19)17(26)21-18(20-16)25-11-7-14(8-12-25)23(3)4/h1-20H;5-12H,1-4H3/q-1;+1