tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

C130H101Ir3N9O3-6 — CID 163470644

About tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine

tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (PubChem CID 163470644) has the molecular formula C130H101Ir3N9O3-6 and a molecular weight of 2413.95 g/mol. Its IUPAC name is tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

Molecular Properties

• Compound Name: tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• PubChem CID: 163470644
• Molecular Formula: C130H101Ir3N9O3-6
• Molecular Weight: 2413.95 g/mol
• Exact Mass: 2414.69
• IUPAC Name: tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
• SMILES: Cc1cc(-c2[c-]cc3oc4ccc(C(C)(C)c5ccccc5)nc4c3c2)ncc1-c1ccccc1.Cc1cc2c(oc3c[c-]c(-c4cc(-c5ccccc5)ccn4)cc32)c(C(C)(C)c2ccccc2)n1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3oc4nc(C(C)(C)c5ccccc5)ccc4c3c2)c1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C32H25N2O.C26H21N2O.C17H12N.C12H10N.C11H8N.3Ir/c1-21-18-27-26-19-24(28-20-23(16-17-33-28)22-10-6-4-7-11-22)14-15-29(26)35-30(27)31(34-21)32(2,3)25-12-8-5-9-13-25;1-21-18-27(33-20-26(21)22-10-6-4-7-11-22)23-14-15-28-25(19-23)31-29(35-28)16-17-30(34-31)32(2,3)24-12-8-5-9-13-24;1-17-13-14-27-22(15-17)18-9-11-23-21(16-18)20-10-12-24(28-25(20)29-23)26(2,3)19-7-5-4-6-8-19;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*4-13,15-20H,1-3H3;4-8,10-16H,1-3H3;1-9,11-13H;2-5,7-9H,1H3;1-6,8-9H;;;/q6*-1
• InChIKey: NOIAUODANHCHFG-UHFFFAOYSA-N
• XLogP: 32.38
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.95
LogP ≤ 5	32.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The IUPAC name of tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine (CID 163470644) is tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine.

What is the SMILES notation for tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The canonical SMILES for tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is Cc1cc(-c2[c-]cc3oc4ccc(C(C)(C)c5ccccc5)nc4c3c2)ncc1-c1ccccc1.Cc1cc2c(oc3c[c-]c(-c4cc(-c5ccccc5)ccn4)cc32)c(C(C)(C)c2ccccc2)n1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3oc4nc(C(C)(C)c5ccccc5)ccc4c3c2)c1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

The InChIKey is NOIAUODANHCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H25N2O.C26H21N2O.C17H12N.C12H10N.C11H8N.3Ir/c1-21-18-27-26-19-24(28-20-23(16-17-33-28)22-10-6-4-7-11-22)14-15-29(26)35-30(27)31(34-21)32(2,3)25-12-8-5-9-13-25;1-21-18-27(33-20-26(21)22-10-6-4-7-11-22)23-14-15-28-25(19-23)31-29(35-28)16-17-30(34-31)32(2,3)24-12-8-5-9-13-24;1-17-13-14-27-22(15-17)18-9-11-23-21(16-18)20-10-12-24(28-25(20)29-23)26(2,3)19-7-5-4-6-8-19;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*4-13,15-20H,1-3H3;4-8,10-16H,1-3H3;1-9,11-13H;2-5,7-9H,1H3;1-6,8-9H;;;/q6*-1;;;.

What are the key properties of tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine?

tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine has a molecular weight of 2413.95 g/mol, XLogP of 32.38, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium);3-methyl-1-(2-phenylpropan-2-yl)-6-(4-phenyl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide;6-(4-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 163470644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).