N-ethylethanamide; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; rhodium(3+); tetraphenylboranuide

Systemtic Name: N-ethylethanamide; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; rhodium(3+); tetraphenylboranuide Openeye Name: N-ethylacetamide; 1-(2-pyridyl)-N,N-bis(2-pyridylmethyl)methanamine; rhodium(3+); tetraphenylboranuide CAS Name: N-ethylacetamide; 1-(2-pyridinyl)-N,N-bis(2-pyridinylmethyl)methanamine; rhodium(3+); tetraphenylboranuide IUPAC Name: N-ethylacetamide; 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine; rhodium(3+); tetraphenylboranuide Traditional Name: N-ethylacetamide; rhodium(3+); tetraphenylboranuide; tris(2-pyridylmethyl)amine Formula: C70H66B2N5ORh MolecularWeight: 1117.83344

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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.CC(=O)NC[CH2-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[Rh+3]

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.CC(=O)NC[CH2-].C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3.[Rh+3]

InChI

InChI=1S/2C24H20B.C18H18N4.C4H8NO.Rh/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;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-3-5-4(2)6;/h2*1-20H;1-12H,13-15H2;1,3H2,2H3,(H,5,6);/q2*-1;;-1;+3