2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)

C159H128Ir5N10O4-10 — CID 157084564

About 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)

2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 157084564) has the molecular formula C159H128Ir5N10O4-10 and a molecular weight of 3240.14 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 157084564
• Molecular Formula: C159H128Ir5N10O4-10
• Molecular Weight: 3240.14 g/mol
• Exact Mass: 3242.06
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: [2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)Cc1ccccc1-2
• InChI: InChI=1S/C20H16NO.2C19H14NO.C18H12NO.C18H12N.5C13H12N.5Ir/c1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;1-2-13-10-11-20-17(12-13)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-6-16-13(5-1)11-15-12-14(8-9-17(15)16)18-7-3-4-10-19-18;5*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;;/h3-7,9-13H,1-2H3;3-7,9-11H,1-2H3;3-7,9-12H,2H2,1H3;2-6,8-11H,1H3;1-7,9-10,12H,11H2;5*3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i1D3,2D3,13D;1D3,2D3;1D3,2D2;1D3;;5*2D3
• InChIKey: QNXARCKJZVUSHZ-OURLIICLSA-N
• XLogP: 40.34
• TPSA: 181.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3240.14
LogP ≤ 5	40.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) (CID 157084564) is 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) is [2H]C([2H])([2H])C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)Cc1ccccc1-2.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)?

The InChIKey is QNXARCKJZVUSHZ-OURLIICLSA-N. The full InChI is InChI=1S/C20H16NO.2C19H14NO.C18H12NO.C18H12N.5C13H12N.5Ir/c1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;1-2-13-10-11-20-17(12-13)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-6-16-13(5-1)11-15-12-14(8-9-17(15)16)18-7-3-4-10-19-18;5*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;;/h3-7,9-13H,1-2H3;3-7,9-11H,1-2H3;3-7,9-12H,2H2,1H3;2-6,8-11H,1H3;1-7,9-10,12H,11H2;5*3-6,8-9H,1-2H3;;;;;/q10*-1;;;;;/i1D3,2D3,13D;1D3,2D3;1D3,2D2;1D3;;5*2D3;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine)?

2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 3240.14 g/mol, XLogP of 40.34, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1,2,2,2-pentadeuterioethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine;2-(3,9-dihydrofluoren-3-id-2-yl)pyridine;pentakis(iridium);pentakis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 157084564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).