2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine

C232H156Ir4N12-8 — CID 157485736

About 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine

2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine (PubChem CID 157485736) has the molecular formula C232H156Ir4N12-8 and a molecular weight of 3880.75 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine
• PubChem CID: 157485736
• Molecular Formula: C232H156Ir4N12-8
• Molecular Weight: 3880.75 g/mol
• Exact Mass: 3881.11
• IUPAC Name: 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine
• SMILES: [Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C55H36N5.C47H32N.C39H26N.C35H24N.3C15H10N.C11H8N.4Ir/c1-2-22-60-55(17-1)41-12-4-10-39(24-41)38-9-3-11-40(23-38)46-25-51(53-29-47(42-13-5-18-56-34-42)27-48(30-53)43-14-6-19-57-35-43)33-52(26-46)54-31-49(44-15-7-20-58-36-44)28-50(32-54)45-16-8-21-59-37-45;1-4-14-34(15-5-1)41-28-42(35-16-6-2-7-17-35)31-45(30-41)46-32-43(36-18-8-3-9-19-36)29-44(33-46)39-22-12-20-37(26-39)38-21-13-23-40(27-38)47-24-10-11-25-48-47;1-3-11-28(12-4-1)35-25-36(29-13-5-2-6-14-29)27-37(26-35)33-18-9-16-31(23-33)32-17-10-19-34(24-32)39-38-20-8-7-15-30(38)21-22-40-39;1-3-11-26(12-4-1)32-23-33(27-13-5-2-6-14-27)25-34(24-32)30-17-9-15-28(21-30)29-16-10-18-31(22-29)35-19-7-8-20-36-35;3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-11,13-37H;1-22,24-33H;1-18,20-27H;1-17,19-25H;3*1-7,9-11H;1-6,8-9H;;;;/q8*-1
• InChIKey: QLQXXDWJZILOJD-UHFFFAOYSA-N
• XLogP: 59.25
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3880.75
LogP ≤ 5	59.25
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 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine?

The IUPAC name of 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine (CID 157485736) is 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine.

What is the SMILES notation for 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine?

The canonical SMILES for 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine is [Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine?

The InChIKey is QLQXXDWJZILOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N5.C47H32N.C39H26N.C35H24N.3C15H10N.C11H8N.4Ir/c1-2-22-60-55(17-1)41-12-4-10-39(24-41)38-9-3-11-40(23-38)46-25-51(53-29-47(42-13-5-18-56-34-42)27-48(30-53)43-14-6-19-57-35-43)33-52(26-46)54-31-49(44-15-7-20-58-36-44)28-50(32-54)45-16-8-21-59-37-45;1-4-14-34(15-5-1)41-28-42(35-16-6-2-7-17-35)31-45(30-41)46-32-43(36-18-8-3-9-19-36)29-44(33-46)39-22-12-20-37(26-39)38-21-13-23-40(27-38)47-24-10-11-25-48-47;1-3-11-28(12-4-1)35-25-36(29-13-5-2-6-14-29)27-37(26-35)33-18-9-16-31(23-33)32-17-10-19-34(24-32)39-38-20-8-7-15-30(38)21-22-40-39;1-3-11-26(12-4-1)32-23-33(27-13-5-2-6-14-27)25-34(24-32)30-17-9-15-28(21-30)29-16-10-18-31(22-29)35-19-7-8-20-36-35;3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-11,13-37H;1-22,24-33H;1-18,20-27H;1-17,19-25H;3*1-7,9-11H;1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine?

2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine has a molecular weight of 3880.75 g/mol, XLogP of 59.25, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine is sourced from PubChem (CID 157485736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).