5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)

C69H44IrN5 — CID 153458422

About 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)

5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+) (PubChem CID 153458422) has the molecular formula C69H44IrN5 and a molecular weight of 1143.41 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)
• PubChem CID: 153458422
• Molecular Formula: C69H44IrN5
• Molecular Weight: 1143.41 g/mol
• Exact Mass: 1143.37
• IUPAC Name: 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)
• SMILES: [2H]c1[c-]c(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5[c-]c([2H])c([2H])c([2H])c5[2H])c4)c3)cn2)c([2H])c([2H])c1[2H].[Ir+3]
• InChI: InChI=1S/C69H44N5.Ir/c1-4-19-48(20-5-1)65-36-37-66(68-34-17-16-33-67(65)68)49-21-18-22-50(39-49)69-38-35-51(43-70-69)59-27-10-11-28-60(59)52-40-53(61-29-12-14-31-63(61)55-44-71-73(46-55)57-23-6-2-7-24-57)42-54(41-52)62-30-13-15-32-64(62)56-45-72-74(47-56)58-25-8-3-9-26-58;/h1-21,23,25,27-47H;/q-3;+3/i2D,3D,6D,7D,8D,9D,23D,25D
• InChIKey: NJNOWTLHNVESSF-WYQCSYMOSA-N
• XLogP: 17.01
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.41
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The IUPAC name of 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+) (CID 153458422) is 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+).

What is the SMILES notation for 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The canonical SMILES for 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+) is [2H]c1[c-]c(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5[c-]c([2H])c([2H])c([2H])c5[2H])c4)c3)cn2)c([2H])c([2H])c1[2H].[Ir+3].

What is the InChIKey of 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)?

The InChIKey is NJNOWTLHNVESSF-WYQCSYMOSA-N. The full InChI is InChI=1S/C69H44N5.Ir/c1-4-19-48(20-5-1)65-36-37-66(68-34-17-16-33-67(65)68)49-21-18-22-50(39-49)69-38-35-51(43-70-69)59-27-10-11-28-60(59)52-40-53(61-29-12-14-31-63(61)55-44-71-73(46-55)57-23-6-2-7-24-57)42-54(41-52)62-30-13-15-32-64(62)56-45-72-74(47-56)58-25-8-3-9-26-58;/h1-21,23,25,27-47H;/q-3;+3/i2D,3D,6D,7D,8D,9D,23D,25D;.

What are the key properties of 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)?

5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+) has a molecular weight of 1143.41 g/mol, XLogP of 17.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+) is sourced from PubChem (CID 153458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).