4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine

C71H86Ir4N4-4 — CID 161234418

About 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine

4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine (PubChem CID 161234418) has the molecular formula C71H86Ir4N4-4 and a molecular weight of 1764.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine
• PubChem CID: 161234418
• Molecular Formula: C71H86Ir4N4-4
• Molecular Weight: 1764.36 g/mol
• Exact Mass: 1766.54
• IUPAC Name: 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine
• SMILES: CC(C)(C)c1c[c-]c(-c2cc(C(C)(C)C)ccn2)cc1.CC(C)(C)c1c[c-]c(-c2ccc(C(C)(C)C)cn2)cc1.CCCc1c[c-]c(-c2cc(C(C)C)ccn2)cc1.Cc1cnc(-c2[c-]cc(C(C)C)cc2)cc1C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C19H24N.C17H20N.C16H18N.4Ir/c1-18(2,3)15-9-7-14(8-10-15)17-13-16(11-12-20-17)19(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-4-5-14-6-8-15(9-7-14)17-12-16(13(2)3)10-11-18-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)10-17-16;;;;/h2*7,9-13H,1-6H3;6-8,10-13H,4-5H2,1-3H3;5-7,9-11H,1-4H3;;;;/q4*-1
• InChIKey: UZGVBJMDQZIGTF-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1764.36
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine (CID 161234418) is 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine is CC(C)(C)c1c[c-]c(-c2cc(C(C)(C)C)ccn2)cc1.CC(C)(C)c1c[c-]c(-c2ccc(C(C)(C)C)cn2)cc1.CCCc1c[c-]c(-c2cc(C(C)C)ccn2)cc1.Cc1cnc(-c2[c-]cc(C(C)C)cc2)cc1C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine?

The InChIKey is UZGVBJMDQZIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H24N.C17H20N.C16H18N.4Ir/c1-18(2,3)15-9-7-14(8-10-15)17-13-16(11-12-20-17)19(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-4-5-14-6-8-15(9-7-14)17-12-16(13(2)3)10-11-18-17;1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)10-17-16;;;;/h2*7,9-13H,1-6H3;6-8,10-13H,4-5H2,1-3H3;5-7,9-11H,1-4H3;;;;/q4*-1;;;;.

What are the key properties of 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine?

4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine has a molecular weight of 1764.36 g/mol, XLogP of 19.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;4,5-dimethyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-propan-2-yl-2-(4-propylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 161234418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).