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

C41H28F9IrN8O2-5 — CID 164754580

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

3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium (PubChem CID 164754580) has the molecular formula C41H28F9IrN8O2-5 and a molecular weight of 1027.93 g/mol. Its IUPAC name is 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium.

Molecular Properties

• Compound Name: 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium
• PubChem CID: 164754580
• Molecular Formula: C41H28F9IrN8O2-5
• Molecular Weight: 1027.93 g/mol
• Exact Mass: 1028.18
• IUPAC Name: 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium
• SMILES: CN(C)c1cc(Oc2[c-]ccc(C(F)(F)F)c2)nc(Oc2[c-]ccc(C(F)(F)F)c2)c1.CN1[CH-]N(c2[c-]c(N3[CH-]Nc4cccnc43)cc(C(F)(F)F)c2)c2ncccc21.[Ir]
• InChI: InChI=1S/C21H14F6N2O2.C20H14F3N6.Ir/c1-29(2)15-11-18(30-16-7-3-5-13(9-16)20(22,23)24)28-19(12-15)31-17-8-4-6-14(10-17)21(25,26)27;1-27-12-29(19-17(27)5-3-7-25-19)15-9-13(20(21,22)23)8-14(10-15)28-11-26-16-4-2-6-24-18(16)28;/h3-6,9-12H,1-2H3;2-9,11-12,26H,1H3;/q-2;-3
• InChIKey: ULDRIGHRWIJAGZ-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 82.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.93
LogP ≤ 5	11.05
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 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium?

The IUPAC name of 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium (CID 164754580) is 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium.

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

The canonical SMILES for 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium is CN(C)c1cc(Oc2[c-]ccc(C(F)(F)F)c2)nc(Oc2[c-]ccc(C(F)(F)F)c2)c1.CN1[CH-]N(c2[c-]c(N3[CH-]Nc4cccnc43)cc(C(F)(F)F)c2)c2ncccc21.[Ir].

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

The InChIKey is ULDRIGHRWIJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2O2.C20H14F3N6.Ir/c1-29(2)15-11-18(30-16-7-3-5-13(9-16)20(22,23)24)28-19(12-15)31-17-8-4-6-14(10-17)21(25,26)27;1-27-12-29(19-17(27)5-3-7-25-19)15-9-13(20(21,22)23)8-14(10-15)28-11-26-16-4-2-6-24-18(16)28;/h3-6,9-12H,1-2H3;2-9,11-12,26H,1H3;/q-2;-3;.

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

3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium has a molecular weight of 1027.93 g/mol, XLogP of 11.05, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1-methyl-2H-imidazo[4,5-b]pyridin-2-ide;N,N-dimethyl-2,6-bis[[3-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;iridium is sourced from PubChem (CID 164754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).