iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C69H46IrN3 — CID 167363064

About iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 167363064) has the molecular formula C69H46IrN3 and a molecular weight of 1109.37 g/mol. Its IUPAC name is iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• PubChem CID: 167363064
• Molecular Formula: C69H46IrN3
• Molecular Weight: 1109.37 g/mol
• Exact Mass: 1109.33
• IUPAC Name: iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• SMILES: [Ir+3].[c-]1cccc(-c2ccccc2-c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)c2)c1.[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)ccn1
• InChI: InChI=1S/C46H30N2.C23H16N.Ir/c1-3-14-33(15-4-1)40-19-7-10-22-43(40)37-28-38(44-23-11-8-20-41(44)35-18-13-27-47-31-35)30-39(29-37)45-24-12-9-21-42(45)36-25-26-46(48-32-36)34-16-5-2-6-17-34;1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-24-23(17-22)21-9-5-2-6-10-21;/h1-3,5-16,18-32H;1-9,11-17H;/q-2;-1;+3
• InChIKey: BLRPEFHFNOSQQW-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.37
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The IUPAC name of iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 167363064) is iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

What is the SMILES notation for iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The canonical SMILES for iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is [Ir+3].[c-]1cccc(-c2ccccc2-c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)c2)c1.[c-]1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2)ccn1.

What is the InChIKey of iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The InChIKey is BLRPEFHFNOSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2.C23H16N.Ir/c1-3-14-33(15-4-1)40-19-7-10-22-43(40)37-28-38(44-23-11-8-20-41(44)35-18-13-27-47-31-35)30-39(29-37)45-24-12-9-21-42(45)36-25-26-46(48-32-36)34-16-5-2-6-17-34;1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-15-16-24-23(17-22)21-9-5-2-6-10-21;/h1-3,5-16,18-32H;1-9,11-17H;/q-2;-1;+3.

What are the key properties of iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 1109.37 g/mol, XLogP of 17.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 167363064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).