2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))

C164H108Ir2N6 — CID 157084353

About 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))

2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)) (PubChem CID 157084353) has the molecular formula C164H108Ir2N6 and a molecular weight of 2550.16 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))
• PubChem CID: 157084353
• Molecular Formula: C164H108Ir2N6
• Molecular Weight: 2550.16 g/mol
• Exact Mass: 2549.81
• IUPAC Name: 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))
• SMILES: Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1.[Ir+3].[Ir+3]
• InChI: InChI=1S/2C82H54N3.2Ir/c2*1-56-48-82(85-55-79(56)60-30-12-5-13-31-60)63-42-45-75(78(54-63)59-28-10-4-11-29-59)72-37-19-16-34-69(72)66-50-64(67-32-14-17-35-70(67)73-43-40-61(80-38-20-22-46-83-80)52-76(73)57-24-6-2-7-25-57)49-65(51-66)68-33-15-18-36-71(68)74-44-41-62(81-39-21-23-47-84-81)53-77(74)58-26-8-3-9-27-58;;/h2*2-39,43-55H,1H3;;/q2*-3;2*+3/i1D3
• InChIKey: XSPQDMGXEUGFBT-AGUGZIQGSA-N
• XLogP: 42.50
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2550.16
LogP ≤ 5	42.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))?

The IUPAC name of 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)) (CID 157084353) is 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)).

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)) is Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1.[Ir+3].[Ir+3].

What is the InChIKey of 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))?

The InChIKey is XSPQDMGXEUGFBT-AGUGZIQGSA-N. The full InChI is InChI=1S/2C82H54N3.2Ir/c2*1-56-48-82(85-55-79(56)60-30-12-5-13-31-60)63-42-45-75(78(54-63)59-28-10-4-11-29-59)72-37-19-16-34-69(72)66-50-64(67-32-14-17-35-70(67)73-43-40-61(80-38-20-22-46-83-80)52-76(73)57-24-6-2-7-25-57)49-65(51-66)68-33-15-18-36-71(68)74-44-41-62(81-39-21-23-47-84-81)53-77(74)58-26-8-3-9-27-58;;/h2*2-39,43-55H,1H3;;/q2*-3;2*+3/i1D3;;;.

What are the key properties of 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))?

2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)) has a molecular weight of 2550.16 g/mol, XLogP of 42.50, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+)) is sourced from PubChem (CID 157084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).