bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

C144H125F3Ir7N8-8 — CID 158500388

About bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 158500388) has the molecular formula C144H125F3Ir7N8-8 and a molecular weight of 3370.15 g/mol. Its IUPAC name is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• PubChem CID: 158500388
• Molecular Formula: C144H125F3Ir7N8-8
• Molecular Weight: 3370.15 g/mol
• Exact Mass: 3373.74
• IUPAC Name: bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• SMILES: C=C/C(=C\C)c1cnc(-c2[c-]c(C)cc(C)c2)cc1C.C=C/C(=C\C)c1cnc(-c2[c-]c(C)cc(C)c2)cc1C.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C20H18N.2C19H20N.C18H11F3N.2C18H14N.C12H10N.7Ir/c2*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;2*1-6-16(7-2)18-12-20-19(11-15(18)5)17-9-13(3)8-14(4)10-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;2*1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;;;;/h2*4-10,12-13H,1-3H3;2*6-9,11-12H,1H2,2-5H3;1-6,8-12H;2*2-8,10-13H,1H3;2-7,9H,1H3;;;;;;;/q8*-1;;;;;;;/b;;2*16-7+
• InChIKey: LRIAYOIYHGCBSE-JRPALLKASA-N
• XLogP: 37.53
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3370.15
LogP ≤ 5	37.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 158500388) is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is C=C/C(=C\C)c1cnc(-c2[c-]c(C)cc(C)c2)cc1C.C=C/C(=C\C)c1cnc(-c2[c-]c(C)cc(C)c2)cc1C.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1[c-]c(-c2cc(C)c(-c3ccccc3)cn2)cc(C)c1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1cccnc1-c1[c-]cccc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The InChIKey is LRIAYOIYHGCBSE-JRPALLKASA-N. The full InChI is InChI=1S/2C20H18N.2C19H20N.C18H11F3N.2C18H14N.C12H10N.7Ir/c2*1-14-9-15(2)11-18(10-14)20-12-16(3)19(13-21-20)17-7-5-4-6-8-17;2*1-6-16(7-2)18-12-20-19(11-15(18)5)17-9-13(3)8-14(4)10-17;19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;2*1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;;;;;;/h2*4-10,12-13H,1-3H3;2*6-9,11-12H,1H2,2-5H3;1-6,8-12H;2*2-8,10-13H,1H3;2-7,9H,1H3;;;;;;;/q8*-1;;;;;;;/b;;2*16-7+;;;;;;;;;;;.

What are the key properties of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 3370.15 g/mol, XLogP of 37.53, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 158500388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).