2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

C173H146Ir3N13O4 — CID 159845016

About 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (PubChem CID 159845016) has the molecular formula C173H146Ir3N13O4 and a molecular weight of 3047.81 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• PubChem CID: 159845016
• Molecular Formula: C173H146Ir3N13O4
• Molecular Weight: 3047.81 g/mol
• Exact Mass: 3048.05
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cccc2)nc2c(CCCCc3cccc4c3nc(-c3[c-]cccc3)n4-c3c(C(C)C)cccc3C(C)C)cccc21.Cc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4ccc(-c5[c-]ccc6c5oc5nc(C)ccc56)nc4)cn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C54H56N4.C40H32N4O2.C40H30N2O2.C17H12N.2C11H8N.3Ir/c1-35(2)43-29-19-30-44(36(3)4)51(43)57-47-33-17-27-39(49(47)55-53(57)41-23-11-9-12-24-41)21-15-16-22-40-28-18-34-48-50(40)56-54(42-25-13-10-14-26-42)58(48)52-45(37(5)6)31-20-32-46(52)38(7)8;1-25-15-19-31-29-11-7-13-33(37(29)45-39(31)43-25)35-21-17-27(23-41-35)9-5-3-4-6-10-28-18-22-36(42-24-28)34-14-8-12-30-32-20-16-26(2)44-40(32)46-38(30)34;1(3-11-27-21-23-35(41-25-27)33-17-9-15-31-29-13-5-7-19-37(29)43-39(31)33)2-4-12-28-22-24-36(42-26-28)34-18-10-16-32-30-14-6-8-20-38(30)44-40(32)34;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h9-14,17-20,23,25,27-38H,15-16,21-22H2,1-8H3;7-8,11-12,15-24H,3-6,9-10H2,1-2H3;5-10,13-16,19-26H,1-4,11-12H2;1-9,11-13H;2*1-6,8-9H;;;/q3*-2;3*-1;3*+3
• InChIKey: BUKRFTFUVYWXLU-UHFFFAOYSA-N
• XLogP: 44.18
• TPSA: 204.21 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 35
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3047.81
LogP ≤ 5	44.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (CID 159845016) is 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cccc2)nc2c(CCCCc3cccc4c3nc(-c3[c-]cccc3)n4-c3c(C(C)C)cccc3C(C)C)cccc21.Cc1ccc2c(n1)oc1c(-c3ccc(CCCCCCc4ccc(-c5[c-]ccc6c5oc5nc(C)ccc56)nc4)cn3)[c-]ccc12.[Ir+3].[Ir+3].[Ir+3].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccc(CCCCCCc2ccc(-c3[c-]ccc4c3oc3ccccc34)nc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The InChIKey is BUKRFTFUVYWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N4.C40H32N4O2.C40H30N2O2.C17H12N.2C11H8N.3Ir/c1-35(2)43-29-19-30-44(36(3)4)51(43)57-47-33-17-27-39(49(47)55-53(57)41-23-11-9-12-24-41)21-15-16-22-40-28-18-34-48-50(40)56-54(42-25-13-10-14-26-42)58(48)52-45(37(5)6)31-20-32-46(52)38(7)8;1-25-15-19-31-29-11-7-13-33(37(29)45-39(31)43-25)35-21-17-27(23-41-35)9-5-3-4-6-10-28-18-22-36(42-24-28)34-14-8-12-30-32-20-16-26(2)44-40(32)46-38(30)34;1(3-11-27-21-23-35(41-25-27)33-17-9-15-31-29-13-5-7-19-37(29)43-39(31)33)2-4-12-28-22-24-36(42-26-28)34-18-10-16-32-30-14-6-8-20-38(30)44-40(32)34;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h9-14,17-20,23,25,27-38H,15-16,21-22H2,1-8H3;7-8,11-12,15-24H,3-6,9-10H2,1-2H3;5-10,13-16,19-26H,1-4,11-12H2;1-9,11-13H;2*1-6,8-9H;;;/q3*-2;3*-1;3*+3.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) has a molecular weight of 3047.81 g/mol, XLogP of 44.18, 35 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-5-[6-[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]hexyl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-4-[4-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]butyl]-2-phenylbenzimidazole;tris(iridium(3+));2-methyl-8-[5-[6-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]hexyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 159845016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).