2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)

C119H94Ir4N8-8 — CID 158242903

About 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)

2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine) (PubChem CID 158242903) has the molecular formula C119H94Ir4N8-8 and a molecular weight of 2404.98 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)
• PubChem CID: 158242903
• Molecular Formula: C119H94Ir4N8-8
• Molecular Weight: 2404.98 g/mol
• Exact Mass: 2406.62
• IUPAC Name: 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)
• SMILES: C=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.C=Cc1cc[c-]c(-c2ccc3cc(C)ccc3n2)c1.C=Cc1ccc2nc(-c3[c-]cc(C(C)(C)C)cc3)ccc2c1.C=Cc1ccc2nc(-c3[c-]cc(C)c(C)c3)ccc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C21H20N.C19H16N.C18H14N.C17H12N.4C11H8N.4Ir/c1-5-15-6-12-20-17(14-15)9-13-19(22-20)16-7-10-18(11-8-16)21(2,3)4;1-4-15-6-9-18-17(12-15)8-10-19(20-18)16-7-5-13(2)14(3)11-16;1-3-14-5-4-6-15(12-14)18-10-8-16-11-13(2)7-9-17(16)19-18;1-2-13-7-9-15(10-8-13)17-12-11-14-5-3-4-6-16(14)18-17;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-7,9-14H,1H2,2-4H3;4-6,8-12H,1H2,2-3H3;3-5,7-12H,1H2,2H3;2-9,11-12H,1H2;4*1-6,8-9H;;;;/q8*-1
• InChIKey: DXPKXLUNTSFGCZ-UHFFFAOYSA-N
• XLogP: 29.79
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2404.98
LogP ≤ 5	29.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine) (CID 158242903) is 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine).

What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine) is C=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.C=Cc1cc[c-]c(-c2ccc3cc(C)ccc3n2)c1.C=Cc1ccc2nc(-c3[c-]cc(C(C)(C)C)cc3)ccc2c1.C=Cc1ccc2nc(-c3[c-]cc(C)c(C)c3)ccc2c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The InChIKey is DXPKXLUNTSFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C19H16N.C18H14N.C17H12N.4C11H8N.4Ir/c1-5-15-6-12-20-17(14-15)9-13-19(22-20)16-7-10-18(11-8-16)21(2,3)4;1-4-15-6-9-18-17(12-15)8-10-19(20-18)16-7-5-13(2)14(3)11-16;1-3-14-5-4-6-15(12-14)18-10-8-16-11-13(2)7-9-17(16)19-18;1-2-13-7-9-15(10-8-13)17-12-11-14-5-3-4-6-16(14)18-17;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-7,9-14H,1H2,2-4H3;4-6,8-12H,1H2,2-3H3;3-5,7-12H,1H2,2H3;2-9,11-12H,1H2;4*1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine)?

2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine) has a molecular weight of 2404.98 g/mol, XLogP of 29.79, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-6-ethenylquinoline;2-(3-ethenylbenzene-6-id-1-yl)-6-methylquinoline;2-(4-ethenylbenzene-6-id-1-yl)quinoline;tetrakis(iridium);tetrakis(2-phenylpyridine) is sourced from PubChem (CID 158242903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).