2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)

C59H66Ir3N3O4Si-3 — CID 162285824

About 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol) (PubChem CID 162285824) has the molecular formula C59H66Ir3N3O4Si-3 and a molecular weight of 1485.93 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol).

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)
• PubChem CID: 162285824
• Molecular Formula: C59H66Ir3N3O4Si-3
• Molecular Weight: 1485.93 g/mol
• Exact Mass: 1487.37
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)
• SMILES: CC(O)=CC(C)O.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H22NSi.C17H14N.C12H10N.2C5H10O2.3Ir/c1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(22(3,4)5)7-9-19(16)21-20;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*1-4(6)3-5(2)7;;;/h6-11,13H,1-5H3;3-10H,1-2H3;2-7,9H,1H3;2*3-4,6-7H,1-2H3;;;/q3*-1
• InChIKey: QPYXDSCMFMIDLE-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 119.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1485.93
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol) (CID 162285824) is 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol).

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol) is CC(O)=CC(C)O.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)?

The InChIKey is QPYXDSCMFMIDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NSi.C17H14N.C12H10N.2C5H10O2.3Ir/c1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(22(3,4)5)7-9-19(16)21-20;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;2*1-4(6)3-5(2)7;;;/h6-11,13H,1-5H3;3-10H,1-2H3;2-7,9H,1H3;2*3-4,6-7H,1-2H3;;;/q3*-1;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)?

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol) has a molecular weight of 1485.93 g/mol, XLogP of 13.69, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol) is sourced from PubChem (CID 162285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).