4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine

C105H88Ir3N3-3 — CID 159848075

About 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine

4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 159848075) has the molecular formula C105H88Ir3N3-3 and a molecular weight of 1968.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 159848075
• Molecular Formula: C105H88Ir3N3-3
• Molecular Weight: 1968.53 g/mol
• Exact Mass: 1969.59
• IUPAC Name: 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
• SMILES: CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C39H32N.2C33H28N.3Ir/c1-39(2,3)37-21-22-40-38(27-37)33-16-10-15-32(23-33)30-17-19-31(20-18-30)36-25-34(28-11-6-4-7-12-28)24-35(26-36)29-13-8-5-9-14-29;1-33(2,3)31-18-19-34-32(23-31)30-17-9-16-29(22-30)28-15-8-14-27(21-28)26-13-7-12-25(20-26)24-10-5-4-6-11-24;1-24(2)21-25-19-20-34-33(22-25)32-10-6-9-31(23-32)30-17-15-29(16-18-30)28-13-11-27(12-14-28)26-7-4-3-5-8-26;;;/h4-15,17-27H,1-3H3;4-16,18-23H,1-3H3;3-9,11-20,22-24H,21H2,1-2H3;;;/q3*-1
• InChIKey: ZSOJENYLJVMKEL-UHFFFAOYSA-N
• XLogP: 28.10
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1968.53
LogP ≤ 5	28.10
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 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine (CID 159848075) is 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine is CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)c1.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)Cc1ccnc(-c2[c-]ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is ZSOJENYLJVMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N.2C33H28N.3Ir/c1-39(2,3)37-21-22-40-38(27-37)33-16-10-15-32(23-33)30-17-19-31(20-18-30)36-25-34(28-11-6-4-7-12-28)24-35(26-36)29-13-8-5-9-14-29;1-33(2,3)31-18-19-34-32(23-31)30-17-9-16-29(22-30)28-15-8-14-27(21-28)26-13-7-12-25(20-26)24-10-5-4-6-11-24;1-24(2)21-25-19-20-34-33(22-25)32-10-6-9-31(23-32)30-17-15-29(16-18-30)28-13-11-27(12-14-28)26-7-4-3-5-8-26;;;/h4-15,17-27H,1-3H3;4-16,18-23H,1-3H3;3-9,11-20,22-24H,21H2,1-2H3;;;/q3*-1;;;.

What are the key properties of 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 1968.53 g/mol, XLogP of 28.10, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159848075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).