2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine

C123H126Ir5N6O8Si-6 — CID 161405069

About 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine (PubChem CID 161405069) has the molecular formula C123H126Ir5N6O8Si-6 and a molecular weight of 2805.57 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine
• PubChem CID: 161405069
• Molecular Formula: C123H126Ir5N6O8Si-6
• Molecular Weight: 2805.57 g/mol
• Exact Mass: 2807.76
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc(C)c3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2cc3ccccc3cn2)ccc1.Cc1[c-]c(-c2ccc3c(C)cc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ncc3ccccc3c2C)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C20H22NSi.2C19H18N.C18H16N.C16H12N.C11H8N.4C5H8O2.5Ir/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;1-12-7-13(2)10-16(9-12)18-6-5-17-15(4)8-14(3)11-19(17)20-18;1-12-5-6-17-15(4)11-18(20-19(17)10-12)16-8-13(2)7-14(3)9-16;1-12-8-13(2)10-16(9-12)18-14(3)17-7-5-4-6-15(17)11-19-18;1-12-5-4-8-14(9-12)16-10-13-6-2-3-7-15(13)11-17-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-4(6)3-5(2)7;;;;;/h6-11,13H,1-5H3;5-9,11H,1-4H3;5-8,10-11H,1-4H3;4-9,11H,1-3H3;2-8,10-11H,1H3;1-6,8-9H;4*3,6H,1-2H3;;;;;/q6*-1
• InChIKey: NBNZQSMGIAVQND-UHFFFAOYSA-N
• XLogP: 30.06
• TPSA: 226.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2805.57
LogP ≤ 5	30.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine (CID 161405069) is 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc(C)c3ccc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2cc3ccccc3cn2)ccc1.Cc1[c-]c(-c2ccc3c(C)cc(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ncc3ccccc3c2C)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine?

The InChIKey is NBNZQSMGIAVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NSi.2C19H18N.C18H16N.C16H12N.C11H8N.4C5H8O2.5Ir/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;1-12-7-13(2)10-16(9-12)18-6-5-17-15(4)8-14(3)11-19(17)20-18;1-12-5-6-17-15(4)11-18(20-19(17)10-12)16-8-13(2)7-14(3)9-16;1-12-8-13(2)10-16(9-12)18-14(3)17-7-5-4-6-15(17)11-19-18;1-12-5-4-8-14(9-12)16-10-13-6-2-3-7-15(13)11-17-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-4(6)3-5(2)7;;;;;/h6-11,13H,1-5H3;5-9,11H,1-4H3;5-8,10-11H,1-4H3;4-9,11H,1-3H3;2-8,10-11H,1H3;1-6,8-9H;4*3,6H,1-2H3;;;;;/q6*-1;;;;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine?

2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine has a molecular weight of 2805.57 g/mol, XLogP of 30.06, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-4,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-4-methylisoquinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);3-(3-methylbenzene-2-id-1-yl)isoquinoline;2-phenylpyridine is sourced from PubChem (CID 161405069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).