2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C₁₃₅H₉₆Ir₃N₁₃O₃ — CID 157084441

About 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 157084441) has the molecular formula C₁₃₅H₉₆Ir₃N₁₃O₃ and a molecular weight of 2524.99 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

• Compound Name: 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• PubChem CID: 157084441
• Molecular Formula: C₁₃₅H₉₆Ir₃N₁₃O₃
• Molecular Weight: 2524.99 g/mol
• Exact Mass: 2525.66
• IUPAC Name: 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cc(Oc2[c-]cccc2)nc1-c1[c-]cccc1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(-c3ccccn3)cc12.[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1.[c-]1ccccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1
• InChI: InChI=1S/C27H26N2O.2C23H14N2.C22H14N3O.C22H13N2O.C18H15N2.3Ir/c1-19(2)23-16-11-17-24(20(3)4)26(23)29-18-25(30-22-14-9-6-10-15-22)28-27(29)21-12-7-5-8-13-21;2*1-2-9-17(10-3-1)20-13-8-16-23(24-20)25-21-14-6-4-11-18(21)19-12-5-7-15-22(19)25;1-14-8-9-16-17-12-15(19-6-2-4-10-23-19)13-18(20-7-3-5-11-24-20)21(17)26-22(16)25-14;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;;;/h5-12,14,16-20H,1-4H3;2*1-9,11-14,16H;2-12H,1H3;1-13H;3-11H,1-2H3;;;/q3*-2;3*-1;3*+3
• InChIKey: VAWUTFRMMWDSGF-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 179.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2524.99
LogP ≤ 5	33.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The IUPAC name of 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 157084441) is 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

What is the SMILES notation for 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The canonical SMILES for 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is CC(C)c1cccc(C(C)C)c1-n1cc(Oc2[c-]cccc2)nc1-c1[c-]cccc1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]c(-c3ccccn3)cc12.[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1.[c-]1ccccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1.

What is the InChIKey of 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

The InChIKey is VAWUTFRMMWDSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O.2C23H14N2.C22H14N3O.C22H13N2O.C18H15N2.3Ir/c1-19(2)23-16-11-17-24(20(3)4)26(23)29-18-25(30-22-14-9-6-10-15-22)28-27(29)21-12-7-5-8-13-21;2*1-2-9-17(10-3-1)20-13-8-16-23(24-20)25-21-14-6-4-11-18(21)19-12-5-7-15-22(19)25;1-14-8-9-16-17-12-15(19-6-2-4-10-23-19)13-18(20-7-3-5-11-24-20)21(17)26-22(16)25-14;1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;;;/h5-12,14,16-20H,1-4H3;2*1-9,11-14,16H;2-12H,1H3;1-13H;3-11H,1-2H3;;;/q3*-2;3*-1;3*+3.

What are the key properties of 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?

2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 2524.99 g/mol, XLogP of 33.01, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-(phenoxy)-2-phenylimidazole;tris(iridium(3+));2-methyl-6,8-dipyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(9-(6-phenyl-2-pyridinyl)-1H-carbazol-1-ide);2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 157084441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157084441 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.