5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))

C222H135Ir3N12O3 — CID 159441880

About 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))

5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)) (PubChem CID 159441880) has the molecular formula C222H135Ir3N12O3 and a molecular weight of 3595.25 g/mol. Its IUPAC name is 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)).

Molecular Properties

• Compound Name: 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))
• PubChem CID: 159441880
• Molecular Formula: C222H135Ir3N12O3
• Molecular Weight: 3595.25 g/mol
• Exact Mass: 3594.97
• IUPAC Name: 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))
• SMILES: [Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cc5c(c4)oc4cccnc45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]ccc5c4oc4ncccc45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]ccc5oc6ncccc6c45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1
• InChI: InChI=1S/3C74H45N4O.3Ir/c1-4-18-49(19-5-1)50-33-35-51(36-34-50)67-45-71(65-30-16-32-72-73(65)66-31-17-41-75-74(66)79-72)78-48-68(67)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-69(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-70(77-47-55)53-22-8-3-9-23-53;1-4-18-49(19-5-1)50-33-35-51(36-34-50)68-45-72(67-31-16-30-65-66-32-17-41-75-74(66)79-73(65)67)78-48-69(68)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-70(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-71(77-47-55)53-22-8-3-9-23-53;1-4-17-49(18-5-1)50-30-32-51(33-31-50)67-45-71(54-34-37-66-73(44-54)79-72-29-16-40-75-74(66)72)78-48-68(67)65-28-15-14-27-64(65)59-42-57(62-25-12-10-23-60(62)55-35-38-69(76-46-55)52-19-6-2-7-20-52)41-58(43-59)63-26-13-11-24-61(63)56-36-39-70(77-47-56)53-21-8-3-9-22-53;;;/h1-20,22,24-29,31-48H;1-20,22,24-30,32-48H;1-19,21,23-33,35-48H;;;/q3*-3;3*+3
• InChIKey: ZDYWFCLJSXXJNA-UHFFFAOYSA-N
• XLogP: 56.70
• TPSA: 194.10 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3595.25
LogP ≤ 5	56.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))?

The IUPAC name of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)) (CID 159441880) is 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)).

What is the SMILES notation for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))?

The canonical SMILES for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)) is [Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]cc5c(c4)oc4cccnc45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]ccc5c4oc4ncccc45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3cnc(-c4[c-]ccc5oc6ncccc6c45)cc3-c3ccc(-c4ccccc4)cc3)c2)cn1.

What is the InChIKey of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))?

The InChIKey is ZDYWFCLJSXXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C74H45N4O.3Ir/c1-4-18-49(19-5-1)50-33-35-51(36-34-50)67-45-71(65-30-16-32-72-73(65)66-31-17-41-75-74(66)79-72)78-48-68(67)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-69(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-70(77-47-55)53-22-8-3-9-23-53;1-4-18-49(19-5-1)50-33-35-51(36-34-50)68-45-72(67-31-16-30-65-66-32-17-41-75-74(66)79-73(65)67)78-48-69(68)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-70(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-71(77-47-55)53-22-8-3-9-23-53;1-4-17-49(18-5-1)50-30-32-51(33-31-50)67-45-71(54-34-37-66-73(44-54)79-72-29-16-40-75-74(66)72)78-48-68(67)65-28-15-14-27-64(65)59-42-57(62-25-12-10-23-60(62)55-35-38-69(76-46-55)52-19-6-2-7-20-52)41-58(43-59)63-26-13-11-24-61(63)56-36-39-70(77-47-56)53-21-8-3-9-22-53;;;/h1-20,22,24-29,31-48H;1-20,22,24-30,32-48H;1-19,21,23-33,35-48H;;;/q3*-3;3*+3.

What are the key properties of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))?

5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)) has a molecular weight of 3595.25 g/mol, XLogP of 56.70, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+)) is sourced from PubChem (CID 159441880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).