6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

C124H184Ir4N8O8 — CID 157179004

About 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (PubChem CID 157179004) has the molecular formula C124H184Ir4N8O8 and a molecular weight of 2683.75 g/mol. Its IUPAC name is 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).

Molecular Properties

• Compound Name: 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
• PubChem CID: 157179004
• Molecular Formula: C124H184Ir4N8O8
• Molecular Weight: 2683.75 g/mol
• Exact Mass: 2685.28
• IUPAC Name: 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
• SMILES: CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1cc(C)nc(-c2ccc3cc(C(C)(C)C)ccc3n2)c1.Cc1ccc(-c2ccc3cc(C(C)(C)C)ccc3n2)nc1C.Cc1ccc(C)c(-c2ccc3cc(C(C)(C)C)ccc3n2)n1.Cc1cnc(-c2ccc3cc(C(C)(C)C)ccc3n2)c(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C20H22N2.4C11H24O2.4Ir/c1-13-6-9-18(21-14(13)2)19-10-7-15-12-16(20(3,4)5)8-11-17(15)22-19;1-13-10-14(2)19(21-12-13)18-8-6-15-11-16(20(3,4)5)7-9-17(15)22-18;1-13-10-14(2)21-19(11-13)18-8-6-15-12-16(20(3,4)5)7-9-17(15)22-18;1-13-6-7-14(2)21-19(13)18-10-8-15-12-16(20(3,4)5)9-11-17(15)22-18;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4*6-12H,1-5H3;4*8-9,12-13H,7H2,1-6H3
• InChIKey: VXTTXUHSYOILOY-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.75
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The IUPAC name of 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (CID 157179004) is 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).

What is the SMILES notation for 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The canonical SMILES for 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1cc(C)nc(-c2ccc3cc(C(C)(C)C)ccc3n2)c1.Cc1ccc(-c2ccc3cc(C(C)(C)C)ccc3n2)nc1C.Cc1ccc(C)c(-c2ccc3cc(C(C)(C)C)ccc3n2)n1.Cc1cnc(-c2ccc3cc(C(C)(C)C)ccc3n2)c(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The InChIKey is VXTTXUHSYOILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H22N2.4C11H24O2.4Ir/c1-13-6-9-18(21-14(13)2)19-10-7-15-12-16(20(3,4)5)8-11-17(15)22-19;1-13-10-14(2)19(21-12-13)18-8-6-15-11-16(20(3,4)5)7-9-17(15)22-18;1-13-10-14(2)21-19(11-13)18-8-6-15-12-16(20(3,4)5)7-9-17(15)22-18;1-13-6-7-14(2)21-19(13)18-10-8-15-12-16(20(3,4)5)9-11-17(15)22-18;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4*6-12H,1-5H3;4*8-9,12-13H,7H2,1-6H3;;;;.

What are the key properties of 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) has a molecular weight of 2683.75 g/mol, XLogP of 29.60, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-(3,5-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(3,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(4,6-dimethyl-2-pyridinyl)quinoline;6-tert-butyl-2-(5,6-dimethyl-2-pyridinyl)quinoline;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is sourced from PubChem (CID 157179004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).