bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)

C170H155Ir5N15O5-10 — CID 161426523

About bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)

bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine) (PubChem CID 161426523) has the molecular formula C170H155Ir5N15O5-10 and a molecular weight of 3495.58 g/mol. Its IUPAC name is bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)
• PubChem CID: 161426523
• Molecular Formula: C170H155Ir5N15O5-10
• Molecular Weight: 3495.58 g/mol
• Exact Mass: 3497.34
• IUPAC Name: bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C)ccc23)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C22H21N2O.C21H19N2O.C20H17N2O.C18H13N2O.2C14H14N.3C13H12N.5Ir/c2*1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;1-13(2)11-15-9-10-22-19(12-15)18-6-4-5-16-17-8-7-14(3)23-21(17)24-20(16)18;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-11-6-9-16(19-10-11)15-5-3-4-13-14-8-7-12(2)20-18(14)21-17(13)15;2*1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;3*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;;/h2*5-6,8-12H,13H2,1-4H3;4-5,7-10,12-13H,11H2,1-3H3;4-5,7-12H,1-3H3;3-4,6-10H,1-2H3;2*4-6,8-9H,1-3H3;3*3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i2*13D2;11D2;12D;1D3;2*1D3,2D3,3D3;3*1D3,2D3
• InChIKey: KCHNTFMYZDIUQZ-XCBMQTJZSA-N
• XLogP: 43.00
• TPSA: 259.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3495.58
LogP ≤ 5	43.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)?

The IUPAC name of bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine) (CID 161426523) is bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine).

What is the SMILES notation for bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)?

The canonical SMILES for bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine) is [2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2nc(C)ccc23)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1)C(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)?

The InChIKey is KCHNTFMYZDIUQZ-XCBMQTJZSA-N. The full InChI is InChI=1S/2C22H21N2O.C21H19N2O.C20H17N2O.C18H13N2O.2C14H14N.3C13H12N.5Ir/c2*1-14-8-9-17-16-6-5-7-18(20(16)25-21(17)24-14)19-12-15(10-11-23-19)13-22(2,3)4;1-13(2)11-15-9-10-22-19(12-15)18-6-4-5-16-17-8-7-14(3)23-21(17)24-20(16)18;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-11-6-9-16(19-10-11)15-5-3-4-13-14-8-7-12(2)20-18(14)21-17(13)15;2*1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;3*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;;/h2*5-6,8-12H,13H2,1-4H3;4-5,7-10,12-13H,11H2,1-3H3;4-5,7-12H,1-3H3;3-4,6-10H,1-2H3;2*4-6,8-9H,1-3H3;3*3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i2*13D2;11D2;12D;1D3;2*1D3,2D3,3D3;3*1D3,2D3;;;;;.

What are the key properties of bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine)?

bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine) has a molecular weight of 3495.58 g/mol, XLogP of 43.00, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,5-bis(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenyl-4,5-bis(trideuteriomethyl)pyridine) is sourced from PubChem (CID 161426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).