N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide

C43H26F15IrN8O2-5 — CID 164754595

About N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide

N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 164754595) has the molecular formula C43H26F15IrN8O2-5 and a molecular weight of 1163.92 g/mol. Its IUPAC name is N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 164754595
• Molecular Formula: C43H26F15IrN8O2-5
• Molecular Weight: 1163.92 g/mol
• Exact Mass: 1164.16
• IUPAC Name: N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: CN(C)c1cc(Oc2[c-]cc(C(F)(F)F)cc2)nc(Oc2[c-]cc(C(F)(F)F)cc2)c1.CN1[CH-]N(c2[c-]c(N3[CH-]Nc4cc(C(F)(F)F)cnc43)cc(C(F)(F)F)c2)c2ncc(C(F)(F)F)cc21.[Ir]
• InChI: InChI=1S/C22H12F9N6.C21H14F6N2O2.Ir/c1-35-10-37(19-17(35)5-13(8-33-19)22(29,30)31)15-3-11(20(23,24)25)2-14(6-15)36-9-34-16-4-12(21(26,27)28)7-32-18(16)36;1-29(2)15-11-18(30-16-7-3-13(4-8-16)20(22,23)24)28-19(12-15)31-17-9-5-14(6-10-17)21(25,26)27;/h2-5,7-10,34H,1H3;3-7,9,11-12H,1-2H3;/q-3;-2
• InChIKey: YWVLZOCMMJXYEC-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 82.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.92
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide (CID 164754595) is N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide is CN(C)c1cc(Oc2[c-]cc(C(F)(F)F)cc2)nc(Oc2[c-]cc(C(F)(F)F)cc2)c1.CN1[CH-]N(c2[c-]c(N3[CH-]Nc4cc(C(F)(F)F)cnc43)cc(C(F)(F)F)c2)c2ncc(C(F)(F)F)cc21.[Ir].

What is the InChIKey of N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is YWVLZOCMMJXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F9N6.C21H14F6N2O2.Ir/c1-35-10-37(19-17(35)5-13(8-33-19)22(29,30)31)15-3-11(20(23,24)25)2-14(6-15)36-9-34-16-4-12(21(26,27)28)7-32-18(16)36;1-29(2)15-11-18(30-16-7-3-13(4-8-16)20(22,23)24)28-19(12-15)31-17-9-5-14(6-10-17)21(25,26)27;/h2-5,7-10,34H,1H3;3-7,9,11-12H,1-2H3;/q-3;-2;.

What are the key properties of N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide?

N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 1163.92 g/mol, XLogP of 13.09, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium;1-methyl-6-(trifluoromethyl)-3-[3-(trifluoromethyl)-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 164754595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).